General Information of the Compound
| Compound ID |
CP0372957
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| Compound Name |
(S)-3-(3-bromo-4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
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| Structure |
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| Formula |
C31H32BrN3O4
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| Molecular Weight |
590.518
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](N2CCN(CC2)c2ccccc2)C(O)=O)cc1Br)-c1ccccc1
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| InChI |
InChI=1S/C31H32BrN3O4/c1-22-27(33-30(39-22)24-8-4-2-5-9-24)14-19-38-29-13-12-23(20-26(29)32)21-28(31(36)37)35-17-15-34(16-18-35)25-10-6-3-7-11-25/h2-13,20,28H,14-19,21H2,1H3,(H,36,37)/t28-/m0/s1
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| InChIKey |
AYWYSNRRZSYRTP-NDEPHWFRSA-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