General Information of the Compound
| Compound ID |
CP0372979
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| Compound Name |
2-benzyl-1'-[4-(propan-2-yl)cyclohexyl]-2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-3-one
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| Structure |
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| Formula |
C29H38N2O
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| Molecular Weight |
430.636
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| Canonical SMILES |
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21
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| InChI |
InChI=1S/C29H38N2O/c1-22(2)24-12-14-26(15-13-24)30-18-16-29(17-19-30)27-11-7-6-10-25(27)21-31(28(29)32)20-23-8-4-3-5-9-23/h3-11,22,24,26H,12-21H2,1-2H3
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| InChIKey |
KUSRIKGAPXLENN-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