General Information of the Compound
| Compound ID |
CP0437155
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| Compound Name |
2-benzyl-5-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)Cc1cccc(F)c21
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| InChI |
InChI=1S/C29H37FN2O/c1-21(2)23-11-13-25(14-12-23)31-17-15-29(16-18-31)27-24(9-6-10-26(27)30)20-32(28(29)33)19-22-7-4-3-5-8-22/h3-10,21,23,25H,11-20H2,1-2H3
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| InChIKey |
VPZYSEKOPYTWBE-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