General Information of the Compound
| Compound ID |
CP0383805
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| Compound Name |
(3aR,7aR)-3-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C22H37N3O
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| Molecular Weight |
359.558
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| Canonical SMILES |
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC1)C1CCC2CCCCC2C1
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| InChI |
InChI=1S/C22H37N3O/c26-22-23-20-7-3-4-8-21(20)25(22)18-11-13-24(14-12-18)19-10-9-16-5-1-2-6-17(16)15-19/h16-21H,1-15H2,(H,23,26)/t16?,17?,19?,20-,21-/m1/s1
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| InChIKey |
RVFJUGFEQYVYCP-ZVMPEUKOSA-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