General Information of the Compound
| Compound ID |
CP0502622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-ylamino)-2-methylpropan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17F2N5OS2
|
||||||||||||||||||
| Molecular Weight |
397.476
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17F2N5OS2/c1-16(2,7-24)23-13-11-12(20-14(19)26-11)21-15(22-13)25-6-8-4-3-5-9(17)10(8)18/h3-5,24H,6-7H2,1-2H3,(H3,19,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTDWJMBRBOKFJV-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