General Information of the Compound
| Compound ID |
CP0448498
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| Compound Name |
2-[3-(3-{(2-Cyclopropyl-3-[1,2,4]oxadiazol-3-yl-phenyl)-[2-(3,4-dichloro-phenoxy)-acetyl]-amino}-propyl)-phenoxy]-2-methyl-propionic acid
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| Structure |
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| Formula |
C32H31Cl2N3O6
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| Molecular Weight |
624.521
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| Canonical SMILES |
CC(C)(Oc1cccc(CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(O)=O
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| InChI |
InChI=1S/C32H31Cl2N3O6/c1-32(2,31(39)40)43-23-8-3-6-20(16-23)7-5-15-37(28(38)18-41-22-13-14-25(33)26(34)17-22)27-10-4-9-24(29(27)21-11-12-21)30-35-19-42-36-30/h3-4,6,8-10,13-14,16-17,19,21H,5,7,11-12,15,18H2,1-2H3,(H,39,40)
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| InChIKey |
ABCWIDLSWVPNPO-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma