General Information of the Compound
| Compound ID |
CP0387204
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| Compound Name |
2-[3-[[2-[(4-phenylbenzoyl)amino]benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C28H22N2O4
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| Molecular Weight |
450.494
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| Canonical SMILES |
OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2)c1
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| InChI |
InChI=1S/C28H22N2O4/c31-26(32)18-19-7-6-10-23(17-19)29-28(34)24-11-4-5-12-25(24)30-27(33)22-15-13-21(14-16-22)20-8-2-1-3-9-20/h1-17H,18H2,(H,29,34)(H,30,33)(H,31,32)
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| InChIKey |
HLJNMNGILDJVBV-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma