General Information of the Compound
| Compound ID |
CP0399542
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| Compound Name |
5-[[2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C26H26N2O5
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| Molecular Weight |
446.503
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
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| InChI |
InChI=1S/C26H26N2O5/c1-26(2,3)17-11-9-16(10-12-17)23(29)28-21-8-6-5-7-19(21)24(30)27-18-13-14-22(33-4)20(15-18)25(31)32/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)
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| InChIKey |
YWGAXYKSJZMNOV-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
Protein ID: PT01286, Bile acid receptor
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma