General Information of the Compound
| Compound ID |
CP0405142
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| Compound Name |
2-benzyl-1'-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-3-one
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| Structure |
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| Formula |
C30H40N2O
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| Molecular Weight |
444.663
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| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21
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| InChI |
InChI=1S/C30H40N2O/c1-29(2,3)25-13-15-26(16-14-25)31-19-17-30(18-20-31)27-12-8-7-11-24(27)22-32(28(30)33)21-23-9-5-4-6-10-23/h4-12,25-26H,13-22H2,1-3H3
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| InChIKey |
VNICAVLHEOTYOU-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