General Information of the Compound
| Compound ID |
CP0941563
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| Compound Name |
rac-3-[Bis(4-fluorophenyl)methyl]-1-(3-methoxybenzyl)piperidin-4-one hydrochloride
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| Structure |
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| Formula |
C26H26ClF2NO2
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| Molecular Weight |
457.948
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| Canonical SMILES |
COc1cccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1.Cl
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| InChI |
InChI=1S/C26H25F2NO2.ClH/c1-31-23-4-2-3-18(15-23)16-29-14-13-25(30)24(17-29)26(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;/h2-12,15,24,26H,13-14,16-17H2,1H3;1H
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| InChIKey |
ASALBVQUOMZQNH-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