General Information of the Compound
| Compound ID |
CP0377750
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| Compound Name |
2-(3-{3-[(3,4-Bis-trifluoromethyl-benzoyl)-(2-cyclopropyl-3-[1,2,4]oxadiazol-3-yl-phenyl)-amino]-propyl}-phenoxy)-2-methyl-propionic acid
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| Structure |
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| Formula |
C33H29F6N3O5
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| Molecular Weight |
661.599
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| Canonical SMILES |
CC(C)(Oc1cccc(CCCN(C(=O)c2ccc(c(c2)C(F)(F)F)C(F)(F)F)c2cccc(-c3ncon3)c2C2CC2)c1)C(O)=O
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| InChI |
InChI=1S/C33H29F6N3O5/c1-31(2,30(44)45)47-22-8-3-6-19(16-22)7-5-15-42(26-10-4-9-23(27(26)20-11-12-20)28-40-18-46-41-28)29(43)21-13-14-24(32(34,35)36)25(17-21)33(37,38)39/h3-4,6,8-10,13-14,16-18,20H,5,7,11-12,15H2,1-2H3,(H,44,45)
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| InChIKey |
XMGJEASDMJAFLB-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