General Information of the Compound
| Compound ID |
CP0546738
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| Compound Name |
3-[[4-(4-methoxybenzoyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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| Structure |
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| Formula |
C23H27NO6S
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| Molecular Weight |
445.537
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1ccc(CSCC(NC(=O)OC(C)(C)C)C(O)=O)cc1
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| InChI |
InChI=1S/C23H27NO6S/c1-23(2,3)30-22(28)24-19(21(26)27)14-31-13-15-5-7-16(8-6-15)20(25)17-9-11-18(29-4)12-10-17/h5-12,19H,13-14H2,1-4H3,(H,24,28)(H,26,27)
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| InChIKey |
OVLCMNPIGKDDOH-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