General Information of the Compound
| Compound ID |
CP0494225
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| Compound Name |
1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
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| Structure |
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| Formula |
C24H27ClF3N3O2
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| Molecular Weight |
481.946
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| Canonical SMILES |
CN(CC(O)COc1ccc(cc1)C(F)(F)F)Cc1c(C)nn(Cc2ccccc2Cl)c1C
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| InChI |
InChI=1S/C24H27ClF3N3O2/c1-16-22(17(2)31(29-16)12-18-6-4-5-7-23(18)25)14-30(3)13-20(32)15-33-21-10-8-19(9-11-21)24(26,27)28/h4-11,20,32H,12-15H2,1-3H3
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| InChIKey |
VSMUWBQSCQIYHT-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