General Information of the Compound
| Compound ID |
CP0387228
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| Compound Name |
4-[[2-[(4-ethylbenzoyl)amino]benzoyl]amino]butanoic acid
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| Structure |
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| Formula |
C20H22N2O4
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| Molecular Weight |
354.406
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| Canonical SMILES |
CCc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCC(O)=O
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| InChI |
InChI=1S/C20H22N2O4/c1-2-14-9-11-15(12-10-14)19(25)22-17-7-4-3-6-16(17)20(26)21-13-5-8-18(23)24/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,21,26)(H,22,25)(H,23,24)
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| InChIKey |
PSDFBPHSZJSDLT-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