General Information of the Compound
| Compound ID |
CP0411155
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| Compound Name |
(3aS,6R,6aS,9aR,9bR)-6-benzyl-1-(cyclohexylmethyl)-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 |
C26H37NO
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| Molecular Weight |
379.588
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| Canonical SMILES |
O=C1C[C@@H]2CCN(CC3CCCCC3)[C@@H]3CCC[C@H]([C@H]1Cc1ccccc1)[C@@H]23
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| InChI |
InChI=1S/C26H37NO/c28-25-17-21-14-15-27(18-20-10-5-2-6-11-20)24-13-7-12-22(26(21)24)23(25)16-19-8-3-1-4-9-19/h1,3-4,8-9,20-24,26H,2,5-7,10-18H2/t21-,22+,23+,24+,26+/m0/s1
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| InChIKey |
LYKRUFMHEVTMIE-VIMOMQNVSA-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