General Information of the Compound
| Compound ID |
CP0431014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)-4,5-difluoro-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClF2N6O3
|
||||||||||||||||||
| Molecular Weight |
504.925
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1cc(F)c(F)cc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClF2N6O3/c1-27-22(33)14-10-16(25)17(26)11-19(14)29-21-15(24)12-28-23(31-21)30-18-4-3-13(9-20(18)34-2)32-5-7-35-8-6-32/h3-4,9-12H,5-8H2,1-2H3,(H,27,33)(H2,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQETZOYIXIGUPE-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