General Information of the Compound
| Compound ID |
CP0500712
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| Compound Name |
N-benzyl-4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C28H38N2O
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| Molecular Weight |
418.625
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| Canonical SMILES |
CC(C)C1CCC(CC1)N1CCC(CC1)(C(=O)NCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H38N2O/c1-22(2)24-13-15-26(16-14-24)30-19-17-28(18-20-30,25-11-7-4-8-12-25)27(31)29-21-23-9-5-3-6-10-23/h3-12,22,24,26H,13-21H2,1-2H3,(H,29,31)
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| InChIKey |
TZINXQGFSMEYPR-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor