General Information of the Compound
| Compound ID |
CP0506232
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| Compound Name |
(S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(4-m-tolylpiperazin-1-yl)propanoic acid
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| Structure |
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| Formula |
C32H35N3O4
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| Molecular Weight |
525.649
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](N2CCN(CC2)c2cccc(C)c2)C(O)=O)cc1)-c1ccccc1
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| InChI |
InChI=1S/C32H35N3O4/c1-23-7-6-10-27(21-23)34-16-18-35(19-17-34)30(32(36)37)22-25-11-13-28(14-12-25)38-20-15-29-24(2)39-31(33-29)26-8-4-3-5-9-26/h3-14,21,30H,15-20,22H2,1-2H3,(H,36,37)/t30-/m0/s1
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| InChIKey |
YSIKJTJEIXXRFY-PMERELPUSA-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