General Information of the Compound
| Compound ID |
CP0409504
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| Compound Name |
(3aR,7aR)-1-[1-(4-Propyl-cyclohexyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C21H37N3O
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| Molecular Weight |
347.547
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| Canonical SMILES |
CCCC1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O
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| InChI |
InChI=1S/C21H37N3O/c1-2-5-16-8-10-17(11-9-16)23-14-12-18(13-15-23)24-20-7-4-3-6-19(20)22-21(24)25/h16-20H,2-15H2,1H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
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| InChIKey |
DNNKEQQXHHYJON-OTGCGEFBSA-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