General Information of the Compound
| Compound ID |
CP0644708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-(1H-Imidazo[4,5-b]pyridin-1-yl)-N-(5-((1-methylpyrrolidin-2-yl)methoxy)pyridin-2-yl)pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N8O
|
||||||||||||||||||
| Molecular Weight |
402.462
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC[C@H]1COc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N8O/c1-28-9-3-4-15(28)12-30-16-6-7-18(23-11-16)27-19-10-20(25-13-24-19)29-14-26-21-17(29)5-2-8-22-21/h2,5-8,10-11,13-15H,3-4,9,12H2,1H3,(H,23,24,25,27)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXBKPNSSZAFEBH-HNNXBMFYSA-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