General Information of the Compound
| Compound ID |
CP0372978
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| Compound Name |
2-benzyl-7-fluoro-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 |
C29H37FN2O
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| Molecular Weight |
448.626
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| Canonical SMILES |
CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21
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| InChI |
InChI=1S/C29H37FN2O/c1-21(2)23-8-11-26(12-9-23)31-16-14-29(15-17-31)27-13-10-25(30)18-24(27)20-32(28(29)33)19-22-6-4-3-5-7-22/h3-7,10,13,18,21,23,26H,8-9,11-12,14-17,19-20H2,1-2H3
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| InChIKey |
KSUWDLKOGPDHMR-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