General Information of the Compound
| Compound ID |
CP0568051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H40F2N6O3
|
||||||||||||||||||
| Molecular Weight |
582.696
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(F)c(CCc2cnc(Nc3ccc(N4CCN(CC4)C4CCN(C)CC4)c(OC)c3)nc2)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H40F2N6O3/c1-37-11-9-23(10-12-37)38-13-15-39(16-14-38)25-8-6-22(17-26(25)40-2)36-31-34-19-21(20-35-31)5-7-24-29(32)27(41-3)18-28(42-4)30(24)33/h6,8,17-20,23H,5,7,9-16H2,1-4H3,(H,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPXVQPFDXRYITI-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
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2