General Information of the Compound
| Compound ID |
CP0453622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,7aR)-1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-octahydro-benzoimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H37N3O
|
||||||||||||||||||
| Molecular Weight |
347.547
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C1CCC(CC1)N1CCC(CC1)N1[C@@H]2CCCC[C@H]2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H37N3O/c1-15(2)16-7-9-17(10-8-16)23-13-11-18(12-14-23)24-20-6-4-3-5-19(20)22-21(24)25/h15-20H,3-14H2,1-2H3,(H,22,25)/t16?,17?,19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBTRYWQKIWBIDS-OTGCGEFBSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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