General Information of the Compound
| Compound ID |
CP0672250
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| Compound Name |
1-(2-Methoxybenzoyl)-4-(Phenylmethyl)-Piperidine
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| Structure |
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| Formula |
C20H23NO2
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| Molecular Weight |
309.409
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| Canonical SMILES |
COc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C20H23NO2/c1-23-19-10-6-5-9-18(19)20(22)21-13-11-17(12-14-21)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
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| InChIKey |
FSIWGHXVLYRBFQ-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
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9