General Information of the Compound
| Compound ID |
CP0510287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-(Trifluoromethoxy)phenylamino)-1H-pyrazolo-[3,4-d]pyrimidin-1-yl)ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12F3N5O2
|
||||||||||||||||||
| Molecular Weight |
339.277
|
||||||||||||||||||
| Canonical SMILES |
OCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)21-12-11-7-20-22(5-6-23)13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQDDFQKWZHOVDY-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