General Information of the Compound
| Compound ID |
CP0387200
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| Compound Name |
3-[3-[[2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H28N2O4
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| Molecular Weight |
444.531
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CCC(O)=O)c1
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| InChI |
InChI=1S/C27H28N2O4/c1-27(2,3)20-14-12-19(13-15-20)25(32)29-23-10-5-4-9-22(23)26(33)28-21-8-6-7-18(17-21)11-16-24(30)31/h4-10,12-15,17H,11,16H2,1-3H3,(H,28,33)(H,29,32)(H,30,31)
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| InChIKey |
FPIGUABINNVQAW-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