General Information of the Compound
| Compound ID |
CP0951385
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| Compound Name |
rac-1-(1-(4-Chloro-3-methoxyphenyl)piperidin-4-yl)-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanol
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| Structure |
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| Formula |
C18H21ClF3N3O2
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| Molecular Weight |
403.832
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| Canonical SMILES |
COc1cc(N2CCC(C(O)Cn3ccc(C(F)(F)F)n3)CC2)ccc1Cl
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| InChI |
InChI=1S/C18H21ClF3N3O2/c1-27-16-10-13(2-3-14(16)19)24-7-4-12(5-8-24)15(26)11-25-9-6-17(23-25)18(20,21)22/h2-3,6,9-10,12,15,26H,4-5,7-8,11H2,1H3
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| InChIKey |
PFIZYZZSKHMEMT-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