General Information of the Compound
| Compound ID |
CP0386237
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N8OS
|
||||||||||||||||||
| Molecular Weight |
412.523
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHUIIOCQAIOLJY-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a