General Information of the Compound
| Compound ID |
CP0431277
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| Compound Name |
1'-cyclooctylmethyl-5-isopropyl-1-methylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C25H38N2O
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| Molecular Weight |
382.592
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| Canonical SMILES |
CC(C)c1ccc2N(C)C(=O)C3(CCN(CC4CCCCCCC4)CC3)c2c1
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| InChI |
InChI=1S/C25H38N2O/c1-19(2)21-11-12-23-22(17-21)25(24(28)26(23)3)13-15-27(16-14-25)18-20-9-7-5-4-6-8-10-20/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3
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| InChIKey |
BRGXPHSPNFIBJM-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