General Information of the Compound
| Compound ID |
CP0377993
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| Compound Name |
(3aR,7aR)-1-Ethyl-3-[1-(4-isopropyl-cyclohexyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C23H41N3O
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| Molecular Weight |
375.601
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| Canonical SMILES |
CCN1[C@@H]2CCCC[C@H]2N(C2CCN(CC2)C2CCC(CC2)C(C)C)C1=O
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| InChI |
InChI=1S/C23H41N3O/c1-4-25-21-7-5-6-8-22(21)26(23(25)27)20-13-15-24(16-14-20)19-11-9-18(10-12-19)17(2)3/h17-22H,4-16H2,1-3H3/t18?,19?,21-,22-/m1/s1
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| InChIKey |
RRSKOVHIQMVZSF-SLMMIHQXSA-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