General Information of the Compound
| Compound ID |
CP0411151
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| Compound Name |
(3aR,6aR,9aS,9bR)-1-propyl-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 |
C15H25NO
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| Molecular Weight |
235.371
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| Canonical SMILES |
CCCN1CC[C@@H]2CC(=O)C[C@H]3CCC[C@H]1[C@@H]23
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| InChI |
InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12-,14+,15-/m1/s1
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| InChIKey |
ZSGSKGCEZSNUNI-RJZRQDKASA-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