NP-MRD: Showing NP-Card for 13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one (NP0243749)

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Record Information

Version

2.0

Created at

2022-09-07 04:22:12 UTC

Updated at

2022-09-07 04:22:12 UTC

NP-MRD ID

NP0243749

Secondary Accession Numbers

None

Natural Product Identification

Common Name

13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one

Description

13,14-Dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]Pentadeca-11,13-dien-10-one belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. 13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one is found in Agelas dispar. 13,14-Dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]Pentadeca-11,13-dien-10-one is a moderately basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.9171   -0.4722    2.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452   -0.5665    1.5775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8336    0.0101    0.3137 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8864   -0.6144   -0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4821   -0.9077   -1.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2455   -1.7619   -2.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987   -1.3056   -1.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782   -1.8634   -0.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203   -2.9780   -0.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.9147    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -0.7163    1.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    0.5019    1.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3654    1.3030    3.1937 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    1.0237    1.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    2.7000    1.9042 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6004    0.1410    0.4955 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892   -0.0476   -0.4100 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4064    1.0626   -1.3093 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530    1.8973   -0.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161    3.1447   -1.5055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0397    1.4397    0.3398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8222   -0.9522    3.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -1.0106    1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770    0.5869    2.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7940    0.0569   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897   -1.5612   -0.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3108    0.0465   -2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3166   -1.4448   -2.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5751   -2.8214   -1.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633   -1.7229   -3.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2984   -1.4124    1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8664    3.2651   -2.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0335    3.9486   -0.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5156    1.9460    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  2  0
 19 20  1  0
 19 21  1  0
 17  3  1  0
 21  3  1  0
 17  7  1  0
 16 10  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
 11 31  1  0
 20 32  1  0
 20 33  1  0
 21 34  1  0
M  END


  Mrv1533004201500482D          

 21 24  0  0  0  0            999 V2000
   -0.3627   -0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505   -0.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890    0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785    1.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554    1.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9716    2.3111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    0.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6774    0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568   -0.0878    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0005   -0.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -1.1140    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    0.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5179    0.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -0.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -0.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7645   -1.5079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522   -1.0995    0.0000 N   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
  6  7  1  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3 17  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0243749

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC12CCCN3C(=O)C4=CC(Br)=C(Br)N4C13N=C(N)N2

> <INCHI_IDENTIFIER>
InChI=1S/C12H13Br2N5O2/c1-21-11-3-2-4-18-9(20)7-5-6(13)8(14)19(7)12(11,18)17-10(15)16-11/h5H,2-4H2,1H3,(H3,15,16,17)

> <INCHI_KEY>
WRPQWSIBDZEYMZ-UHFFFAOYSA-N

> <FORMULA>
C12H13Br2N5O2

> <MOLECULAR_WEIGHT>
419.077

> <EXACT_MASS>
416.943601

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
32.727905069321785

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-amino-13,14-dibromo-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-2,11,13-trien-10-one

> <ALOGPS_LOGP>
1.00

> <JCHEM_LOGP>
1.8070610576666664

> <ALOGPS_LOGS>
-2.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.6079058046247945

> <JCHEM_POLAR_SURFACE_AREA>
84.88

> <JCHEM_REFRACTIVITY>
83.03379999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-amino-13,14-dibromo-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-2,11,13-trien-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      -0.677  -1.740   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.851  -1.932   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.781  -0.704   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.281  -0.354   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.166   1.120   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.887   2.244   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.387   1.894   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       3.650   2.774   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.680   4.314   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.878   1.845   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.417   1.814   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.864   0.341   0.000  0.00  0.00           C+0
HETATM   13 Br   UNK     0       8.319  -0.164   0.000  0.00  0.00          Br+0
HETATM   14  C   UNK     0       5.601  -0.540   0.000  0.00  0.00           C+0
HETATM   15 Br   UNK     0       5.571  -2.079   0.000  0.00  0.00          Br+0
HETATM   16  N   UNK     0       4.373   0.390   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       2.833   0.420   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       4.228  -0.234   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       4.037  -1.762   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       5.160  -2.815   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       2.524  -2.052   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   17   21                                             
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   17                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   10   17                                                  
CONECT   17   16    3    7   18                                             
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    3                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₂H₁₃Br₂N₅O₂

Average Mass

419.0770 Da

Monoisotopic Mass

416.94360 Da

IUPAC Name

3-amino-13,14-dibromo-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-2,11,13-trien-10-one

Traditional Name

3-amino-13,14-dibromo-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-2,11,13-trien-10-one

CAS Registry Number

Not Available

SMILES

COC12CCCN3C(=O)C4=CC(Br)=C(Br)N4C13N=C(N)N2

InChI Identifier

InChI=1S/C12H13Br2N5O2/c1-21-11-3-2-4-18-9(20)7-5-6(13)8(14)19(7)12(11,18)17-10(15)16-11/h5H,2-4H2,1H3,(H3,15,16,17)

InChI Key

WRPQWSIBDZEYMZ-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

Species Name	Source	Reference
Agelas dispar	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Imidazopyridines

Sub Class

Not Available

Direct Parent

Imidazopyridines

Alternative Parents

Substituents

Imidazopyridine
2-heteroaryl carboxamide
Aryl bromide
Aryl halide
Substituted pyrrole
Piperidine
Heteroaromatic compound
Imidazolidine
Tertiary carboxylic acid amide
Pyrrole
Carboxamide group
Guanidine
Ortho amide
Lactam
Carboxylic acid derivative
Azacycle
Carboximidamide
Organooxygen compound
Imine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organohalogen compound
Organobromide
Organonitrogen compound
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	1	ALOGPS
logP	1.81	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Basic)	1.61	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	84.88 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	83.03 m³·mol⁻¹	ChemAxon
Polarizability	32.73 Å³	ChemAxon
Number of Rings	4	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one (NP0243749)

MOL for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

3D MOL for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

3D SDF for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

3D-SDF for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

PDB for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

3D PDB for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

SMILES for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

INCHI for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

Structure for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)

3D Structure for NP0243749 (13,14-dibromo-3-imino-5-methoxy-2,4,9,15-tetraazatetracyclo[7.6.0.0¹,⁵.0¹¹,¹⁵]pentadeca-11,13-dien-10-one)