General Information of the Compound
| Compound ID |
CP0031120
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| Compound Name |
3-nitro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
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| Structure |
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| Formula |
C19H12N6O2
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| Molecular Weight |
356.345
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
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| InChI |
InChI=1S/C19H12N6O2/c20-11-12-1-3-17(18(9-12)25(26)27)22-14-2-4-16-15(10-14)19(24-23-16)13-5-7-21-8-6-13/h1-10,22H,(H,23,24)
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| InChIKey |
GSPRDGGZFQZUBY-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