General Information of the Compound
| Compound ID |
CP0155277
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| Compound Name |
(3aS,6R,6aS,9aR,9bR)-6-ethyl-1-heptyl-3,3a,4,6,6a,7,8,9,9a,9b-decahydro-2H-benzo[de]quinolin-5-one
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| Structure |
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| Formula |
C21H37NO
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| Molecular Weight |
319.533
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| Canonical SMILES |
CCCCCCCN1CC[C@H]2CC(=O)[C@H](CC)[C@H]3CCC[C@@H]1[C@H]23
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| InChI |
InChI=1S/C21H37NO/c1-3-5-6-7-8-13-22-14-12-16-15-20(23)17(4-2)18-10-9-11-19(22)21(16)18/h16-19,21H,3-15H2,1-2H3/t16-,17+,18+,19+,21+/m0/s1
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| InChIKey |
XJLQVNWODQXMLN-HMPZBHLVSA-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