General Information of the Compound
| Compound ID |
CP0517564
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| Compound Name |
(3R)-6-[2-[[5-chloro-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
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| Structure |
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| Formula |
C24H24ClF3N2O3
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| Molecular Weight |
480.914
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| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cn1c(Cl)cnc1-c1ccc(cc1)C(F)(F)F)CC(O)=O
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| InChI |
InChI=1S/C24H24ClF3N2O3/c1-16(13-22(31)32)5-4-12-33-20-7-3-2-6-18(20)15-30-21(25)14-29-23(30)17-8-10-19(11-9-17)24(26,27)28/h2-3,6-11,14,16H,4-5,12-13,15H2,1H3,(H,31,32)/t16-/m1/s1
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| InChIKey |
YBDMLCZZFCXIHA-MRXNPFEDSA-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