General Information of the Compound
| Compound ID |
CP0544971
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| Compound Name |
3-[(4-benzoylphenyl)methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
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| Structure |
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| Formula |
C25H23NO5S
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| Molecular Weight |
449.528
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| Canonical SMILES |
OC(=O)C(CSCc1ccc(cc1)C(=O)c1ccccc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C25H23NO5S/c27-23(20-9-5-2-6-10-20)21-13-11-19(12-14-21)16-32-17-22(24(28)29)26-25(30)31-15-18-7-3-1-4-8-18/h1-14,22H,15-17H2,(H,26,30)(H,28,29)
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| InChIKey |
DFIHXRYJEREANA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma