General Information of the Compound
| Compound ID |
CP0407263
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-6-(1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11N5O2S2
|
||||||||||||||||||
| Molecular Weight |
369.431
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(SCc2cscn2)nc(-c2ccc3OCOc3c2)c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11N5O2S2/c17-4-11-14(9-1-2-12-13(3-9)23-8-22-12)20-16(21-15(11)18)25-6-10-5-24-7-19-10/h1-3,5,7H,6,8H2,(H2,18,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCTUVTSRQRFZMT-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: PT01278, Adenosine receptor A2b