NP-MRD: Showing NP-Card for 12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione (NP0315189)

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Record Information

Version

2.0

Created at

2022-09-11 13:41:50 UTC

Updated at

2022-09-11 13:41:50 UTC

NP-MRD ID

NP0315189

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione

Description

12,26-Dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]Heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. 12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione is found in Aspergillus fumigatus and Penicillium lanosum. 12,26-Dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]Heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione is a moderately basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171502082D          

 33 39  0  0  0  0            999 V2000
    5.0129    1.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1808    0.2101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5098   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6995   -0.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    1.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -1.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -2.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0857   -2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5373   -1.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507   -1.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1540   -1.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8742   -2.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7629   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4757   -1.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9596   -2.8411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8820   -1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121   -2.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884   -2.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4345   -1.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8044   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0282   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3981   -0.4053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219   -0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5400    0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102   -0.5337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6452   -1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9930   -0.7861    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  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 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
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 17 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END


  Mrv1533004171502082D          

 33 39  0  0  0  0            999 V2000
    5.0129    1.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    0.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1808    0.2101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5098   -0.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6995   -0.1225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    1.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651   -0.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   -0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -1.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -2.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0857   -2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5373   -1.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507   -1.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1540   -1.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8742   -2.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7629   -2.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4757   -1.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9596   -2.8411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8820   -1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121   -2.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884   -2.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4345   -1.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8044   -0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0282   -0.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3981   -0.4053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219   -0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5400    0.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102   -0.5337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6452   -1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9930   -0.7861    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  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 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
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 17 32  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0315189

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1N2C3N(C1=O)C1=CC=CC=C1C3(O)CC1N3C(=O)C4=CC=CC=C4N=C3C2(C)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(33)11-17-18(30)26-23(2,29(12)22(24)28)21-25-15-9-5-3-7-13(15)20(32)27(17)21/h3-10,12,17,22,33H,11H2,1-2H3,(H,26,30)

> <INCHI_KEY>
YYLAARMDRFESOL-UHFFFAOYSA-N

> <FORMULA>
C24H21N5O4

> <MOLECULAR_WEIGHT>
443.463

> <EXACT_MASS>
443.159354176

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
44.57787300443511

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

> <ALOGPS_LOGP>
0.63

> <JCHEM_LOGP>
1.1346469039999998

> <ALOGPS_LOGS>
-2.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.921815740150123

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.108945535604073

> <JCHEM_PKA_STRONGEST_BASIC>
1.7313896143838003

> <JCHEM_POLAR_SURFACE_AREA>
105.55000000000001

> <JCHEM_REFRACTIVITY>
118.24839999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.39e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       9.357   3.153   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.787   1.723   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       9.671   0.392   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       8.418  -0.805   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.906  -0.229   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       7.213   1.362   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.105   2.432   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       5.908  -1.456   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.371  -1.370   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.528  -2.659   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.222  -4.034   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.760  -4.119   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.603  -2.830   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.121  -2.444   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       9.621  -2.093   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.099  -3.758   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.757  -3.837   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      12.088  -2.794   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      13.264  -3.788   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.991  -5.303   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      14.713  -3.266   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.889  -4.260   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      17.338  -3.739   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.611  -2.223   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.435  -1.229   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.986  -1.751   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0      13.810  -0.757   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0      12.361  -1.278   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.414   0.298   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.208   1.617   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      10.846  -0.996   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      10.538  -2.410   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       9.320  -1.467   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4   29                                                  
CONECT    4    3    5   14                                                  
CONECT    5    4    6    8                                                  
CONECT    6    5    2    7                                                  
CONECT    7    6                                                            
CONECT    8    5    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8   14                                                  
CONECT   14   13    4   15   16                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   32                                                  
CONECT   18   17   19   28                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   21   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   18   29                                                  
CONECT   29   28    3   30   31                                             
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   17   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₂₁N₅O₄

Average Mass

443.4630 Da

Monoisotopic Mass

443.15935 Da

IUPAC Name

12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

Traditional Name

12-hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione

CAS Registry Number

Not Available

SMILES

CC1N2C3N(C1=O)C1=CC=CC=C1C3(O)CC1N3C(=O)C4=CC=CC=C4N=C3C2(C)NC1=O

InChI Identifier

InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(33)11-17-18(30)26-23(2,29(12)22(24)28)21-25-15-9-5-3-7-13(15)20(32)27(17)21/h3-10,12,17,22,33H,11H2,1-2H3,(H,26,30)

InChI Key

YYLAARMDRFESOL-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aspergillus fumigatus	LOTUS Database	35616633
Penicillium lanosum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazanaphthalenes

Sub Class

Benzodiazines

Direct Parent

Quinazolines

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Quinazoline
Indole or derivatives
Pyrimidone
Imidazolidinone
Pyrimidine
Benzenoid
Imidazolidine
Heteroaromatic compound
Tertiary alcohol
Tertiary carboxylic acid amide
Cyclic carboximidic acid
Lactam
Carboxamide group
Azacycle
Carboxylic acid derivative
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organic oxygen compound
Alcohol
Amine
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	0.63	ALOGPS
logP	1.13	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	10.11	ChemAxon
pKa (Strongest Basic)	1.73	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	105.55 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	118.25 m³·mol⁻¹	ChemAxon
Polarizability	44.58 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73810134

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione (NP0315189)

MOL for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

3D MOL for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

3D SDF for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

3D-SDF for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

PDB for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

3D PDB for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

SMILES for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

INCHI for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

Structure for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)

3D Structure for NP0315189 (12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione)