NP-MRD: Showing NP-Card for 4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one (NP0143223)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-01 21:55:29 UTC

Updated at

2022-09-01 21:55:29 UTC

NP-MRD ID

NP0143223

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one

Description

DTXSID80976052 belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Based on a literature review very few articles have been published on DTXSID80976052.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309012223552D          

 49 57  0  0  0  0            999 V2000
   -5.1494    1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3425    1.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7904    0.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953   -1.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0462   -0.0571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    1.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5206    1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907   -0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427    1.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    2.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    0.7634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116   -0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7186   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1311    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5790    1.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    1.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819    2.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6409    2.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    2.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    3.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0180    1.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2729    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0575    0.4024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2291   -0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0137   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6160   -0.9566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6055    0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3102   -0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189   -0.8391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4933   -0.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0454    0.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8523   -0.0841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 37 42  2  0  0  0  0
 42 43  1  0  0  0  0
 28 43  2  0  0  0  0
 35 43  1  0  0  0  0
 22 44  1  0  0  0  0
 19 44  1  0  0  0  0
  7 45  1  0  0  0  0
 45 46  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
  3 48  2  0  0  0  0
 48 49  1  0  0  0  0
M  END

     RDKit          3D

 79 87  0  0  0  0  0  0  0  0999 V2000
  -12.9148    2.1732    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3206    1.6252   -1.1063 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9905    1.2042   -1.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2244    1.3252   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8934    0.9040   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9289    0.9143    0.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7623    0.3753    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5270    0.2585    1.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5697    0.5975    2.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2937   -0.2047    0.5501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9657   -0.5961   -0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179   -0.6240   -0.7969 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9170    0.7999   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9637   -0.2229    0.5141 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1214   -0.4089    1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0516   -0.6821    2.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7521   -0.8568    3.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440   -1.1097    4.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5718   -0.7180    2.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.4534    1.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6926   -0.4233    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -0.6616    1.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0597   -0.7164    1.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410   -1.0182    2.5678 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139   -0.4738    0.3102 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4563    0.3739   -0.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7459    1.2007   -1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7587    0.1529   -0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -0.8704    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9122   -1.9753    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3222   -2.9866    1.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651   -2.0839    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9283   -3.2238    0.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6068   -3.2607    1.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8051   -1.0582   -0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0697   -0.9365   -1.1613 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875    0.2132   -1.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6599    0.8375   -2.6212 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5662    1.8121   -1.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0837    2.0030   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6236    2.3559   -1.7328 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9606    0.8466   -1.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0728    0.0558   -1.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474   -0.8685    2.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0565    0.0594   -0.9145 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3405    0.3753   -1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1013    0.2516   -2.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4235    0.6663   -2.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1884    0.5430   -3.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6947    1.5301    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0150    2.2180   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5106    3.1972    0.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6400    1.7436    0.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0645    1.2775    1.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3896   -1.5869   -0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2817    0.1928   -1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109   -1.2824   -1.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    0.9795   -1.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    1.6415   -0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637   -0.7778    3.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382   -0.2461   -0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1850   -0.1619   -1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7059    1.1550   -0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7790    2.0625   -0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8309    1.4481   -2.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3829   -3.0487    1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9174   -3.6075    2.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9763   -2.2322    1.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4711   -3.9264    1.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8459   -1.6217   -1.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8165    3.0784    0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8442    1.7382    0.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1441    1.4113    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326    1.7980   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0095   -1.9287    3.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -0.1578    3.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4157   -0.3787   -1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6849   -0.1648   -3.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8095    0.1591   -4.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 48  2  0
 48 49  1  0
 48 47  1  0
 47 46  2  0
 46 45  1  0
 45  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 14 13  1  6
 14 20  1  0
 20 19  2  0
 19 44  1  0
 44 22  1  0
 22 21  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 43  2  0
 43 42  1  0
 42 37  2  0
 37 36  1  0
 36 35  1  0
 35 32  2  0
 32 33  1  0
 33 34  1  0
 32 30  1  0
 30 31  1  0
 30 29  2  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 19 17  1  0
 17 18  2  0
 17 16  1  0
 16 15  2  0
  4  3  1  0
 15 10  1  0
  5 46  1  0
 14 12  1  0
 15 14  1  0
 21 20  1  0
 29 25  1  0
 29 28  1  0
 35 43  1  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
 49 79  1  0
 47 78  1  0
 45 77  1  0
  6 54  1  0
  4 53  1  0
 11 55  1  0
 11 56  1  0
 12 57  1  6
 13 58  1  0
 13 59  1  0
 44 75  1  0
 44 76  1  0
 21 61  1  0
 26 62  1  0
 26 63  1  0
 27 64  1  0
 27 65  1  0
 42 74  1  0
 36 70  1  0
 34 67  1  0
 34 68  1  0
 34 69  1  0
 31 66  1  0
 40 71  1  0
 40 72  1  0
 40 73  1  0
 16 60  1  0
M  END


  Mrv1652309012223552D          

 49 57  0  0  0  0            999 V2000
   -5.1494    1.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3425    1.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7904    0.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6064    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953   -1.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0462   -0.0571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    1.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5206    1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907   -0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427    1.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3964    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109    2.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    0.7634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116   -0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7186   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1311    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5790    1.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    1.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819    2.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6409    2.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    2.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    3.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    1.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0180    1.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2729    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0575    0.4024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2291   -0.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0137   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6160   -0.9566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6055    0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3102   -0.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189   -0.8391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4933   -0.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0454    0.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8523   -0.0841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 37 42  2  0  0  0  0
 42 43  1  0  0  0  0
 28 43  2  0  0  0  0
 35 43  1  0  0  0  0
 22 44  1  0  0  0  0
 19 44  1  0  0  0  0
  7 45  1  0  0  0  0
 45 46  1  0  0  0  0
  5 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
  3 48  2  0  0  0  0
 48 49  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0143223

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=C2NC(=CC2=C1)C(=O)N1CC2CC22C3=C(CC(=C3)C(=O)N3CCC4=C5C=C(NC5=C(OC)C(O)=C34)SC(C)=O)C(=O)C=C12

> <INCHI_IDENTIFIER>
InChI=1S/C36H30N4O8S/c1-15(41)49-29-10-20-19-4-5-39(31(19)32(44)33(48-3)30(20)38-29)34(45)17-6-21-22(7-17)36-13-18(36)14-40(28(36)12-25(21)42)35(46)24-8-16-9-27(47-2)26(43)11-23(16)37-24/h7-12,18,37-38,43-44H,4-6,13-14H2,1-3H3

> <INCHI_KEY>
QSZHAMMVDIPHLJ-UHFFFAOYSA-N

> <FORMULA>
C36H30N4O8S

> <MOLECULAR_WEIGHT>
678.72

> <EXACT_MASS>
678.178435116

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
74.26626766775891

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1H,2H,3H,6H-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

> <ALOGPS_LOGP>
4.38

> <JCHEM_LOGP>
2.0400237720000005

> <ALOGPS_LOGS>
-4.05

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.133206749534892

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.2171589778203868

> <JCHEM_PKA_STRONGEST_BASIC>
3.804036647043038

> <JCHEM_POLAR_SURFACE_AREA>
165.26

> <JCHEM_REFRACTIVITY>
183.37949999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.10e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1H,2H,6H-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-SEP-22         0                                  
HETATM    1  C   UNK     0      -9.612   2.452   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -8.106   2.772   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -7.075   1.628   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.569   1.948   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.539   0.803   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.999   0.803   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.523  -0.661   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.058  -1.137   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.738  -2.643   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       0.086  -0.107   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -0.075   1.425   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.332   2.051   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.839   2.372   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.363   0.907   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.593  -0.427   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.363  -1.760   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.903  -1.760   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.673  -3.094   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.673  -0.427   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.903   0.907   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.933   2.051   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.340   1.425   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.674   2.195   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       7.674   3.735   0.000  0.00  0.00           O+0
HETATM   25  N   UNK     0       9.007   1.425   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       9.168  -0.107   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.675  -0.427   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.445   0.907   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.414   2.051   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.890   3.516   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.860   4.660   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      12.396   3.836   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      12.872   5.301   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      14.379   5.621   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      13.427   2.692   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0      14.967   2.692   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      15.443   1.227   0.000  0.00  0.00           C+0
HETATM   38  S   UNK     0      16.907   0.751   0.000  0.00  0.00           S+0
HETATM   39  C   UNK     0      17.228  -0.755   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      18.692  -1.231   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      16.083  -1.786   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      14.197   0.322   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      12.951   1.227   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.179  -0.107   0.000  0.00  0.00           C+0
HETATM   45  N   UNK     0      -3.769  -1.566   0.000  0.00  0.00           N+0
HETATM   46  C   UNK     0      -5.015  -0.661   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -6.521  -0.981   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -7.551   0.163   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -9.058  -0.157   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   48                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   46                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   45                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12   14                                                       
CONECT   14   13   12   15   20                                             
CONECT   15   14   10   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   44                                                  
CONECT   20   19   14   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   44                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   29                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   43                                                  
CONECT   29   28   25   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   43                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   37   43                                                       
CONECT   43   42   28   35                                                  
CONECT   44   22   19                                                       
CONECT   45    7   46                                                       
CONECT   46   45    5   47                                                  
CONECT   47   46   48                                                       
CONECT   48   47    3   49                                                  
CONECT   49   48                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  114    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₀N₄O₈S

Average Mass

678.7200 Da

Monoisotopic Mass

678.17844 Da

IUPAC Name

4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1H,2H,3H,6H-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

Traditional Name

4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1H,2H,6H-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=C2NC(=CC2=C1)C(=O)N1CC2CC22C3=C(CC(=C3)C(=O)N3CCC4=C5C=C(NC5=C(OC)C(O)=C34)SC(C)=O)C(=O)C=C12

InChI Identifier

InChI=1S/C36H30N4O8S/c1-15(41)49-29-10-20-19-4-5-39(31(19)32(44)33(48-3)30(20)38-29)34(45)17-6-21-22(7-17)36-13-18(36)14-40(28(36)12-25(21)42)35(46)24-8-16-9-27(47-2)26(43)11-23(16)37-24/h7-12,18,37-38,43-44H,4-6,13-14H2,1-3H3

InChI Key

QSZHAMMVDIPHLJ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyrroloindoles

Direct Parent

Pyrroloindoles

Alternative Parents

Substituents

Pyrroloindole
Indolecarboxylic acid derivative
Indolecarboxamide derivative
Hydroxyindole
N-acyl-piperidine
Indole
N-acylpyrrolidine
Pyrrole-2-carboxamide
Pyrrole-2-carboxylic acid or derivatives
2-heteroaryl carboxamide
Aryl thioether
Anisole
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Piperidine
Substituted pyrrole
Pyrrolidine
Heteroaromatic compound
Pyrrole
Vinylogous amide
Tertiary carboxylic acid amide
Carboxamide group
Ketone
Carbothioic s-ester
Thiocarboxylic acid ester
Azacycle
Ether
Carboxylic acid derivative
Sulfenyl compound
Thiocarboxylic acid or derivatives
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Organosulfur compound
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	4.38	ALOGPS
logP	2.04	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	-1.2	ChemAxon
pKa (Strongest Basic)	3.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	165.26 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	183.38 m³·mol⁻¹	ChemAxon
Polarizability	74.27 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

440084

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

504021

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one (NP0143223)

MOL for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

3D MOL for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

3D SDF for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

3D-SDF for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

PDB for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

3D PDB for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

SMILES for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

INCHI for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

Structure for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)

3D Structure for NP0143223 (4-[7-(acetylsulfanyl)-4-hydroxy-5-methoxy-1h,2h,6h-pyrrolo[3,2-e]indole-3-carbonyl]-10-(6-hydroxy-5-methoxy-1h-indole-2-carbonyl)-10-azatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-trien-7-one)