General Information of the Compound
| Compound ID |
CP0454798
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| Compound Name |
4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C17H17NO3
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| Molecular Weight |
283.327
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| Canonical SMILES |
Cc1ccc(cc1C)C(=O)NCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C17H17NO3/c1-11-3-6-15(9-12(11)2)16(19)18-10-13-4-7-14(8-5-13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
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| InChIKey |
KEDZXDRIQQCSNS-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