General Information of the Compound
| Compound ID |
CP0509687
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| Compound Name |
[2-benzyl-4-(naphthalen-1-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
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| Structure |
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| Formula |
C32H34N2O
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| Molecular Weight |
462.637
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N1CCC(CC1Cc1ccccc1)NCc1cccc2ccccc12
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| InChI |
InChI=1S/C32H34N2O/c1-23-17-24(2)19-28(18-23)32(35)34-16-15-29(21-30(34)20-25-9-4-3-5-10-25)33-22-27-13-8-12-26-11-6-7-14-31(26)27/h3-14,17-19,29-30,33H,15-16,20-22H2,1-2H3
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| InChIKey |
XQCZPAUCNTZZCI-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