General Information of the Compound
| Compound ID |
CP0906590
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| Compound Name |
rac-3-[Bis(4-fluorophenyl)methyl]-1-(5-bromo-2-methoxybenzyl)piperidin-4-one hydrochloride
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| Structure |
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| Formula |
C26H25BrClF2NO2
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| Molecular Weight |
536.844
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| Canonical SMILES |
COc1ccc(Br)cc1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
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| InChI |
InChI=1S/C26H24BrF2NO2.ClH/c1-32-25-11-6-20(27)14-19(25)15-30-13-12-24(31)23(16-30)26(17-2-7-21(28)8-3-17)18-4-9-22(29)10-5-18;/h2-11,14,23,26H,12-13,15-16H2,1H3;1H
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| InChIKey |
FSTSRNNOGLSTCV-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