General Information of the Compound
| Compound ID |
CP0939737
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| Compound Name |
2-(3-(4-(5-aminopyridin-2-yl)phenyl)propanamido)benzoic acid
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| Structure |
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| Formula |
C21H19N3O3
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| Molecular Weight |
361.401
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| Canonical SMILES |
Nc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)nc1
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| InChI |
InChI=1S/C21H19N3O3/c22-16-10-11-18(23-13-16)15-8-5-14(6-9-15)7-12-20(25)24-19-4-2-1-3-17(19)21(26)27/h1-6,8-11,13H,7,12,22H2,(H,24,25)(H,26,27)
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| InChIKey |
CYWKDOPVYWTNHO-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