General Information of the Compound
| Compound ID |
CP0419144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-morpholinoethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21Cl2N7O2
|
||||||||||||||||||
| Molecular Weight |
498.374
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Cl)c1Nc1nn(CC(=O)N2CCOCC2)c2nc(Nc3ccccc3)ncc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21Cl2N7O2/c24-17-7-4-8-18(25)20(17)28-21-16-13-26-23(27-15-5-2-1-3-6-15)29-22(16)32(30-21)14-19(33)31-9-11-34-12-10-31/h1-8,13H,9-12,14H2,(H,28,30)(H,26,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJUHXKMDZJBXRI-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