General Information of the Compound
| Compound ID |
CP0489728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26ClN7S
|
||||||||||||||||||
| Molecular Weight |
431.997
|
||||||||||||||||||
| Canonical SMILES |
Cl.CN(C)C1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25N7S.ClH/c1-14-23-18(12-19(24-14)27-10-6-16(7-11-27)26(2)3)25-20-22-13-17(28-20)15-4-8-21-9-5-15;/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,22,23,24,25);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTVXDWFIUAEROU-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