General Information of the Compound
| Compound ID |
CP0532352
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| Compound Name |
1-[[3,5-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl-methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
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| Structure |
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| Formula |
C25H27F6N3O2
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| Molecular Weight |
515.498
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| Canonical SMILES |
CN(CC(O)COc1ccc(cc1)C(F)(F)F)Cc1c(C)nn(Cc2ccccc2C(F)(F)F)c1C
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| InChI |
InChI=1S/C25H27F6N3O2/c1-16-22(17(2)34(32-16)12-18-6-4-5-7-23(18)25(29,30)31)14-33(3)13-20(35)15-36-21-10-8-19(9-11-21)24(26,27)28/h4-11,20,35H,12-15H2,1-3H3
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| InChIKey |
SBFIOSDRDYETRF-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