General Information of the Compound
| Compound ID |
CP0538919
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| Compound Name |
(4-Benzyl-4'-methyl-[1,4']bipiperidinyl-1'-yl)-(2,6-dimethyl-phenyl)-methanone
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| Structure |
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| Formula |
C27H36N2O
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| Molecular Weight |
404.598
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| Canonical SMILES |
Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C27H36N2O/c1-21-8-7-9-22(2)25(21)26(30)28-18-14-27(3,15-19-28)29-16-12-24(13-17-29)20-23-10-5-4-6-11-23/h4-11,24H,12-20H2,1-3H3
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| InChIKey |
SFQVZFORUREWSK-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