General Information of the Compound
| Compound ID |
CP0397818
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| Compound Name |
(3aR,7aR)-1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C27H35N3O
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| Molecular Weight |
417.597
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| Canonical SMILES |
O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H35N3O/c31-27-28-25-13-7-8-14-26(25)30(27)23-15-18-29(19-16-23)20-17-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-26H,7-8,13-20H2,(H,28,31)/t25-,26-/m1/s1
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| InChIKey |
OQAUWTYZPSDQCA-CLJLJLNGSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor