General Information of the Compound
| Compound ID |
CP0400030
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| Compound Name |
2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(cyclohexyloxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C27H29ClN2O6
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| Molecular Weight |
512.99
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| Canonical SMILES |
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCCCC2)c1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H29ClN2O6/c1-18-24(29-26(35-18)20-10-12-21(28)13-11-20)17-34-23-9-5-6-19(14-23)15-30(16-25(31)32)27(33)36-22-7-3-2-4-8-22/h5-6,9-14,22H,2-4,7-8,15-17H2,1H3,(H,31,32)
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| InChIKey |
VJLLKKNPFAWXSC-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