General Information of the Compound
| Compound ID |
CP0564489
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| Compound Name |
3-nitro-4-[(2-oxo-3-pyridin-4-yl-1H-benzimidazol-5-yl)amino]benzonitrile
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| Structure |
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| Formula |
C19H12N6O3
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| Molecular Weight |
372.344
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]c(=O)n(-c3ccncc3)c2c1)C#N
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| InChI |
InChI=1S/C19H12N6O3/c20-11-12-1-3-16(18(9-12)25(27)28)22-13-2-4-15-17(10-13)24(19(26)23-15)14-5-7-21-8-6-14/h1-10,22H,(H,23,26)
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| InChIKey |
NQBQNFRHHLPLEM-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