General Information of the Compound
| Compound ID |
CP0847943
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| Compound Name |
6-benzamidonicotinic acid
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| Structure |
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| Formula |
C13H10N2O3
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| Molecular Weight |
242.234
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| Canonical SMILES |
O=C(O)c1ccc(NC(=O)c2ccccc2)nc1
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| InChI |
InChI=1S/C13H10N2O3/c16-12(9-4-2-1-3-5-9)15-11-7-6-10(8-14-11)13(17)18/h1-8H,(H,17,18)(H,14,15,16)
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| InChIKey |
PVOMYLXLUJVVNB-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