General Information of the Compound
| Compound ID |
CP0378939
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| Compound Name |
1'-cyclooctylmethyl-1-cyclopropylmethyl-6-methoxyspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C26H38N2O2
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| Molecular Weight |
410.602
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| Canonical SMILES |
COc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1
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| InChI |
InChI=1S/C26H38N2O2/c1-30-22-11-12-23-24(17-22)28(19-21-9-10-21)25(29)26(23)13-15-27(16-14-26)18-20-7-5-3-2-4-6-8-20/h11-12,17,20-21H,2-10,13-16,18-19H2,1H3
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| InChIKey |
VPULAKGHRZPYSW-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