General Information of the Compound
| Compound ID |
CP0379833
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| Compound Name |
3-[[2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]-4-fluorobenzoic acid
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| Structure |
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| Formula |
C25H23FN2O4
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| Molecular Weight |
434.467
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1F)C(O)=O
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| InChI |
InChI=1S/C25H23FN2O4/c1-25(2,3)17-11-8-15(9-12-17)22(29)27-20-7-5-4-6-18(20)23(30)28-21-14-16(24(31)32)10-13-19(21)26/h4-14H,1-3H3,(H,27,29)(H,28,30)(H,31,32)
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| InChIKey |
UACVXKJQZHLBSB-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