General Information of the Compound
| Compound ID |
CP0919951
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| Compound Name |
rac-3-[Bis(4-fluorophenyl)methyl]-1-(2,3-dimethoxybenzyl)piperidin-4-one hydrochloride
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| Structure |
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| Formula |
C27H28ClF2NO3
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| Molecular Weight |
487.974
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| Canonical SMILES |
COc1cccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1OC.Cl
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| InChI |
InChI=1S/C27H27F2NO3.ClH/c1-32-25-5-3-4-20(27(25)33-2)16-30-15-14-24(31)23(17-30)26(18-6-10-21(28)11-7-18)19-8-12-22(29)13-9-19;/h3-13,23,26H,14-17H2,1-2H3;1H
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| InChIKey |
RSNMCOQCABSILU-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