General Information of the Compound
| Compound ID |
CP0403152
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N8OS
|
||||||||||||||||||
| Molecular Weight |
384.469
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSCBVZXHPONWAG-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