General Information of the Compound
| Compound ID |
CP0135942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20F3N7O2
|
||||||||||||||||||
| Molecular Weight |
435.41
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CC(F)(F)F)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20F3N7O2/c1-23-18(30)25-13-4-2-12(3-5-13)15-26-16(28-6-8-31-9-7-28)14-10-24-29(17(14)27-15)11-19(20,21)22/h2-5,10H,6-9,11H2,1H3,(H2,23,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPYQLUBFHONSEW-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