General Information of the Compound
| Compound ID |
CP0663122
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| Compound Name |
1-(2-Chlorobenzoyl)-4-(Phenylmethyl)-Piperidine
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| Structure |
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| Formula |
C19H20ClNO
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| Molecular Weight |
313.828
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| Canonical SMILES |
O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C19H20ClNO/c20-18-9-5-4-8-17(18)19(22)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
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| InChIKey |
RBCUCXILXJXLTB-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