NP-MRD: Showing NP-Card for 8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one (NP0291548)

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Record Information

Version

2.0

Created at

2022-09-09 22:41:19 UTC

Updated at

2022-09-09 22:41:19 UTC

NP-MRD ID

NP0291548

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one

Description

8,9-Dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]Pentadeca-6(10),8-dien-11-one belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group. 8,9-Dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]Pentadeca-6(10),8-dien-11-one is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -1.2866    2.4915   -2.0490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602    1.5339   -1.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025    0.2555   -1.1376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360   -0.3221    0.1335 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1588    0.8131    0.8084 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6370    1.9428    0.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    0.9703    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3327    2.0489    0.2057 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4885    1.7653   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9727    2.9202   -0.7148 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4209    0.4467   -0.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139   -0.5025   -1.7165 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2063   -0.0422   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617   -1.3539   -0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1501   -2.3037   -1.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2520   -1.5076    0.0171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5188   -2.6199    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9573   -2.1628    0.4185 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7868   -2.8660    1.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255   -0.7120    0.8225 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8859    0.0634    0.3777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9522    2.3468   -3.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8541    3.3428   -1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578    0.7716    1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8803    2.8014    0.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236    3.0143    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3512   -3.5484   -0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256   -2.8205    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537   -2.2131   -0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -3.6178    0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -0.6113    1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342   -0.3249   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  3  1  6
  4 20  1  0
 20 21  1  0
 20 18  1  0
 18 19  1  0
 18 17  1  0
 17 16  1  0
 16 14  1  0
 14 15  2  0
 14 13  1  0
 13  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
  7  5  1  0
  5  6  1  0
  6  2  1  0
 16  4  1  0
 11 13  1  0
  5  4  1  0
  1 22  1  0
  1 23  1  0
 20 31  1  1
 21 32  1  0
 18 29  1  6
 19 30  1  0
 17 27  1  0
 17 28  1  0
  8 26  1  0
  5 24  1  1
  6 25  1  0
M  END


  Mrv1533004231523122D          

 21 24  0  0  0  0            999 V2000
   -0.0489   -3.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3636   -2.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096    0.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3396   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1646   -0.6979    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8547   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841   -2.3299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  2  0  0  0  0
 19 20  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0291548

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=NC23C(O)C(O)CN2C(=O)C2=C(NC(Br)=C2Br)C3N1

> <INCHI_IDENTIFIER>
InChI=1S/C11H11Br2N5O3/c12-4-3-5(15-8(4)13)6-11(17-10(14)16-6)7(20)2(19)1-18(11)9(3)21/h2,6-7,15,19-20H,1H2,(H3,14,16,17)

> <INCHI_KEY>
PMIAEKSPKCHUBL-UHFFFAOYSA-N

> <FORMULA>
C11H11Br2N5O3

> <MOLECULAR_WEIGHT>
421.049

> <EXACT_MASS>
418.922865

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
32.29628177655819

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-amino-8,9-dibromo-14,15-dihydroxy-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-2,6(10),8-trien-11-one

> <ALOGPS_LOGP>
-0.14

> <JCHEM_LOGP>
-0.6306346310000004

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.68712895504633

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.101480897724986

> <JCHEM_PKA_STRONGEST_BASIC>
7.428570579601488

> <JCHEM_POLAR_SURFACE_AREA>
126.97

> <JCHEM_REFRACTIVITY>
78.79690000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-amino-8,9-dibromo-14,15-dihydroxy-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-2,6(10),8-trien-11-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  N   UNK     0      -0.091  -5.844   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.679  -4.510   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       0.052  -3.103   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.268  -2.549   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.744  -4.013   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.713  -1.303   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.268  -0.057   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       1.197  -0.533   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.329  -0.057   0.000  0.00  0.00           C+0
HETATM   15 Br   UNK     0       5.805   1.408   0.000  0.00  0.00          Br+0
HETATM   16  C   UNK     0       6.234  -1.303   0.000  0.00  0.00           C+0
HETATM   17 Br   UNK     0       7.774  -1.303   0.000  0.00  0.00          Br+0
HETATM   18  N   UNK     0       5.329  -2.549   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       2.210  -4.349   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10   20                                             
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9    4   11                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   19                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   13   20                                                  
CONECT   20   19    4   21                                                  
CONECT   21   20    2                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₁H₁₁Br₂N₅O₃

Average Mass

421.0490 Da

Monoisotopic Mass

418.92286 Da

IUPAC Name

3-amino-8,9-dibromo-14,15-dihydroxy-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-2,6(10),8-trien-11-one

Traditional Name

3-amino-8,9-dibromo-14,15-dihydroxy-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-2,6(10),8-trien-11-one

CAS Registry Number

Not Available

SMILES

NC1=NC23C(O)C(O)CN2C(=O)C2=C(NC(Br)=C2Br)C3N1

InChI Identifier

InChI=1S/C11H11Br2N5O3/c12-4-3-5(15-8(4)13)6-11(17-10(14)16-6)7(20)2(19)1-18(11)9(3)21/h2,6-7,15,19-20H,1H2,(H3,14,16,17)

InChI Key

PMIAEKSPKCHUBL-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 aryl bromides. These are organic compounds containing the acyl bromide functional group.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Aryl halides

Sub Class

Aryl bromides

Direct Parent

Aryl bromides

Alternative Parents

Substituents

Aryl bromide
Substituted pyrrole
Imidazolidine
Pyrrole
Pyrrolidine
Tertiary carboxylic acid amide
Vinylogous halide
Vinylogous amide
Heteroaromatic compound
Guanidine
Carboxamide group
1,2-diol
Secondary alcohol
Lactam
Carboximidamide
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Imine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organobromide
Organonitrogen compound
Organooxygen compound
Alcohol
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	-0.14	ALOGPS
logP	-0.63	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	11.1	ChemAxon
pKa (Strongest Basic)	7.43	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	126.97 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	78.8 m³·mol⁻¹	ChemAxon
Polarizability	32.3 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

74425574

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one (NP0291548)

MOL for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

3D MOL for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

3D SDF for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

3D-SDF for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

PDB for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

3D PDB for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

SMILES for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

INCHI for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

Structure for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)

3D Structure for NP0291548 (8,9-dibromo-14,15-dihydroxy-3-imino-2,4,7,12-tetraazatetracyclo[10.3.0.0¹,⁵.0⁶,¹⁰]pentadeca-6(10),8-dien-11-one)