General Information of the Compound
| Compound ID |
CP0573159
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| Compound Name |
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylsulfanyl]propanoic acid
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| Structure |
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| Formula |
C24H27NO5S
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| Molecular Weight |
441.549
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CSCc1ccc(\C=C\C(=O)c2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C24H27NO5S/c1-24(2,3)30-23(29)25-20(22(27)28)16-31-15-18-11-9-17(10-12-18)13-14-21(26)19-7-5-4-6-8-19/h4-14,20H,15-16H2,1-3H3,(H,25,29)(H,27,28)/b14-13+
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| InChIKey |
PJZOCKKESNTJIM-BUHFOSPRSA-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