General Information of the Compound
| Compound ID |
CP0176186
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O2
|
||||||||||||||||||
| Molecular Weight |
378.476
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)-c1cc(ccc1C#N)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O2/c1-21(2,3)13-26-18-10-9-17(24-19(18)25(6)20(26)27)16-11-15(22(4,5)28)8-7-14(16)12-23/h7-11,28H,13H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKVVGGNDJKHDHH-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