General Information of the Compound
| Compound ID |
CP0502595
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| Compound Name |
4-(4,6-dinitro-1H-indol-1-ylsulfonyl)benzenamine
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| Synonyms |
4-(4,6-dinitro-1H-indol-1-ylsulfonyl)benzenamine
CHEMBL200844
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| Structure |
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| Formula |
C14H10N4O6S
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| Molecular Weight |
362.323
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| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)n1ccc2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O
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| InChI |
InChI=1S/C14H10N4O6S/c15-9-1-3-11(4-2-9)25(23,24)16-6-5-12-13(16)7-10(17(19)20)8-14(12)18(21)22/h1-8H,15H2
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| InChIKey |
NMGNRDGVTLTPFO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound