General Information of the Compound
| Compound ID |
CP0544868
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| Compound Name |
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-(4-nitrobenzoyl)phenyl]methylsulfanyl]propanoic acid
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| Structure |
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| Formula |
C22H24N2O7S
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| Molecular Weight |
460.508
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CSCc1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C22H24N2O7S/c1-22(2,3)31-21(28)23-18(20(26)27)13-32-12-14-4-6-15(7-5-14)19(25)16-8-10-17(11-9-16)24(29)30/h4-11,18H,12-13H2,1-3H3,(H,23,28)(H,26,27)
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| InChIKey |
CXJJIIVCCYQCRE-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