General Information of the Compound
| Compound ID |
CP0387203
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| Compound Name |
2-[3-[[2-[(4-methylsulfanylbenzoyl)amino]benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C23H20N2O4S
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| Molecular Weight |
420.49
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CC(O)=O)c1
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| InChI |
InChI=1S/C23H20N2O4S/c1-30-18-11-9-16(10-12-18)22(28)25-20-8-3-2-7-19(20)23(29)24-17-6-4-5-15(13-17)14-21(26)27/h2-13H,14H2,1H3,(H,24,29)(H,25,28)(H,26,27)
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| InChIKey |
IPEYXJWSWJYBLB-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