General Information of the Compound
| Compound ID |
CP0941338
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| Compound Name |
rac-3-[Bis(4-fluorophenyl)methyl]-1-[3-(trifluoromethyl)benzyl]piperidin-4-one hydrochloride
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| Structure |
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| Formula |
C26H23ClF5NO
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| Molecular Weight |
495.919
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| Canonical SMILES |
Cl.O=C1CCN(Cc2cccc(C(F)(F)F)c2)CC1C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H22F5NO.ClH/c27-21-8-4-18(5-9-21)25(19-6-10-22(28)11-7-19)23-16-32(13-12-24(23)33)15-17-2-1-3-20(14-17)26(29,30)31;/h1-11,14,23,25H,12-13,15-16H2;1H
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| InChIKey |
XYWNPIWSWVHOQQ-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