General Information of the Compound
| Compound ID |
CP0576743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31F2N5O3
|
||||||||||||||||||
| Molecular Weight |
499.562
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(F)c(CCc2cnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc2)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31F2N5O3/c1-32-9-11-33(12-10-32)20-8-6-18(13-21(20)34-2)31-26-29-15-17(16-30-26)5-7-19-24(27)22(35-3)14-23(36-4)25(19)28/h6,8,13-16H,5,7,9-12H2,1-4H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JREKRBYIVGEOTH-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 | |||||||||||||||||||
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