General Information of the Compound
| Compound ID |
CP0539688
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[4-(aminomethyl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClN8
|
||||||||||||||||||
| Molecular Weight |
418.892
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1cn[nH]c1)-c1cccnc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N8.ClH/c22-10-13-3-5-15(6-4-13)29-20(16-2-1-9-24-19(16)23)28-18-8-7-17(27-21(18)29)14-11-25-26-12-14;/h1-9,11-12H,10,22H2,(H2,23,24)(H,25,26);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRSSVYVWYYZLQZ-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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase