General Information of the Compound
| Compound ID |
CP0309091
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(4-(3,6-dihydro-2H-pyran-4-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20F3N7O2
|
||||||||||||||||||
| Molecular Weight |
495.465
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Cn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)C1=CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20F3N7O2/c25-24(26,27)14-34-22-19(13-29-34)20(15-7-10-36-11-8-15)32-21(33-22)16-3-5-17(6-4-16)30-23(35)31-18-2-1-9-28-12-18/h1-7,9,12-13H,8,10-11,14H2,(H2,30,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFZZGJMXAGYQAS-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