General Information of the Compound
| Compound ID |
CP0418617
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| Compound Name |
N-(3-aminophenyl)-4-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C16H13N3O2
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| Molecular Weight |
279.299
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| Canonical SMILES |
Nc1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1
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| InChI |
InChI=1S/C16H13N3O2/c17-10-4-3-5-11(8-10)19-16(21)13-9-18-14-7-2-1-6-12(14)15(13)20/h1-9H,17H2,(H,18,20)(H,19,21)
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| InChIKey |
KTSIAOVGPZRHBI-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