General Information of the Compound
| Compound ID |
CP0421002
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| Compound Name |
(3R)-6-[2-[[5-cyano-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
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| Structure |
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| Formula |
C25H24F3N3O3
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| Molecular Weight |
471.479
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| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cn1c(cnc1-c1ccc(cc1)C(F)(F)F)C#N)CC(O)=O
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| InChI |
InChI=1S/C25H24F3N3O3/c1-17(13-23(32)33)5-4-12-34-22-7-3-2-6-19(22)16-31-21(14-29)15-30-24(31)18-8-10-20(11-9-18)25(26,27)28/h2-3,6-11,15,17H,4-5,12-13,16H2,1H3,(H,32,33)/t17-/m1/s1
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| InChIKey |
KGQPMONVEZCVGM-QGZVFWFLSA-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