General Information of the Compound
| Compound ID |
CP0910665
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-ylamino)propane-1,3-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H15F2N5O2S2
|
||||||||||||||||||
| Molecular Weight |
399.448
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2nc(SCc3cccc(F)c3F)nc(NC(CO)CO)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H15F2N5O2S2/c16-9-3-1-2-7(10(9)17)6-25-15-21-12(19-8(4-23)5-24)11-13(22-15)20-14(18)26-11/h1-3,8,23-24H,4-6H2,(H3,18,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUSLPWLSUCXCHB-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