General Information of the Compound
| Compound ID |
CP0920197
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| Compound Name |
rac-1-(Biphenyl-2-ylmethyl)-3-[bis(4-fluorophenyl)methyl]piperidin-4-one hydrochloride
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| Structure |
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| Formula |
C31H28ClF2NO
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| Molecular Weight |
504.02
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| Canonical SMILES |
Cl.O=C1CCN(Cc2ccccc2-c2ccccc2)CC1C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C31H27F2NO.ClH/c32-26-14-10-23(11-15-26)31(24-12-16-27(33)17-13-24)29-21-34(19-18-30(29)35)20-25-8-4-5-9-28(25)22-6-2-1-3-7-22;/h1-17,29,31H,18-21H2;1H
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| InChIKey |
UVUAMEBONLRDPW-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