General Information of the Compound
| Compound ID |
CP0968403
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| Compound Name |
rac-2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-1-(1-(2,4-dichloro-5-methoxyphenyl)piperidin-4-yl)ethanamine
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| Structure |
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| Formula |
C19H22Cl3F3N4O
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| Molecular Weight |
485.765
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| Canonical SMILES |
COc1cc(N2CCC(C(N)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl
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| InChI |
InChI=1S/C19H22Cl3F3N4O/c1-10-17(22)18(19(23,24)25)27-29(10)9-14(26)11-3-5-28(6-4-11)15-8-16(30-2)13(21)7-12(15)20/h7-8,11,14H,3-6,9,26H2,1-2H3
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| InChIKey |
UPQLGWFORCITKV-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