General Information of the Compound
| Compound ID |
CP0464515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl)(4-tert-butylcyclohexyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33N3O
|
||||||||||||||||||
| Molecular Weight |
367.537
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C1CCC(CC1)C(=O)N1CCC(CC1)c1c[nH]c2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33N3O/c1-23(2,3)18-8-6-17(7-9-18)22(27)26-13-10-16(11-14-26)20-15-25-21-19(20)5-4-12-24-21/h4-5,12,15-18H,6-11,13-14H2,1-3H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUGLXMZHDFSWIQ-UHFFFAOYSA-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