General Information of the Compound
| Compound ID |
CP0196829
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| Compound Name |
4-[[(3-phenylbenzoyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C21H17NO3
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| Molecular Weight |
331.371
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| Canonical SMILES |
OC(=O)c1ccc(CNC(=O)c2cccc(c2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C21H17NO3/c23-20(22-14-15-9-11-17(12-10-15)21(24)25)19-8-4-7-18(13-19)16-5-2-1-3-6-16/h1-13H,14H2,(H,22,23)(H,24,25)
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| InChIKey |
GAUNASWANMMAEJ-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