General Information of the Compound
| Compound ID |
CP0140518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32N4O
|
||||||||||||||||||
| Molecular Weight |
356.514
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)N1CCCC2CCCCC12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N4O/c1-21(2,3)14-25-17-11-12-18(22-19(17)23(4)20(25)26)24-13-7-9-15-8-5-6-10-16(15)24/h11-12,15-16H,5-10,13-14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHQZQEGFDROPEO-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