General Information of the Compound
| Compound ID |
CP0469063
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| Compound Name |
(S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(4-(2-nitrophenylsulfonyl)piperazin-1-yl)propanoic acid
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| Structure |
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| Formula |
C31H32N4O8S
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| Molecular Weight |
620.684
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](N2CCN(CC2)S(=O)(=O)c2ccccc2[N+]([O-])=O)C(O)=O)cc1)-c1ccccc1
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| InChI |
InChI=1S/C31H32N4O8S/c1-22-26(32-30(43-22)24-7-3-2-4-8-24)15-20-42-25-13-11-23(12-14-25)21-28(31(36)37)33-16-18-34(19-17-33)44(40,41)29-10-6-5-9-27(29)35(38)39/h2-14,28H,15-21H2,1H3,(H,36,37)/t28-/m0/s1
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| InChIKey |
ICDLMVIOEWJHKJ-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