General Information of the Compound
| Compound ID |
CP0853264
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| Compound Name |
rac-1-(1-(4-Chloro-3-methoxyphenyl)-4-methylpiperidin-4-yl)-2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanol
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| Structure |
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| Formula |
C20H24Cl2F3N3O2
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| Molecular Weight |
466.331
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| Canonical SMILES |
COc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl
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| InChI |
InChI=1S/C20H24Cl2F3N3O2/c1-12-17(22)18(20(23,24)25)26-28(12)11-16(29)19(2)6-8-27(9-7-19)13-4-5-14(21)15(10-13)30-3/h4-5,10,16,29H,6-9,11H2,1-3H3
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| InChIKey |
DWUDTZIVCJBSHJ-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