General Information of the Compound
| Compound ID |
CP0379495
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| Compound Name |
3-[[2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]-2-methylbenzoic acid
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| Structure |
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| Formula |
C26H26N2O4
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| Molecular Weight |
430.504
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| Canonical SMILES |
Cc1c(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cccc1C(O)=O
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| InChI |
InChI=1S/C26H26N2O4/c1-16-19(25(31)32)9-7-11-21(16)27-24(30)20-8-5-6-10-22(20)28-23(29)17-12-14-18(15-13-17)26(2,3)4/h5-15H,1-4H3,(H,27,30)(H,28,29)(H,31,32)
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| InChIKey |
CFMBCSJMPLNAPY-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: PT00915, Peroxisome proliferator-activated receptor gamma