General Information of the Compound
| Compound ID |
CP0935711
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| Compound Name |
rac-3-(Diphenylmethyl)-1-[2-methoxy-5-(1-methylethyl)benzyl]piperidin-4-one hydrochloride
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| Structure |
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| Formula |
C29H34ClNO2
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| Molecular Weight |
464.049
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| Canonical SMILES |
COc1ccc(C(C)C)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1.Cl
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| InChI |
InChI=1S/C29H33NO2.ClH/c1-21(2)24-14-15-28(32-3)25(18-24)19-30-17-16-27(31)26(20-30)29(22-10-6-4-7-11-22)23-12-8-5-9-13-23;/h4-15,18,21,26,29H,16-17,19-20H2,1-3H3;1H
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| InChIKey |
IBHHPPCYHKUESB-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