General Information of the Compound
| Compound ID |
CP0578875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-[3-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38F2N6O3
|
||||||||||||||||||
| Molecular Weight |
568.669
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(F)c(COc2cnc(Nc3ccc(N4CCC(CC4)N4CCN(C)CC4)c(C)c3)nc2)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38F2N6O3/c1-20-15-21(5-6-25(20)38-9-7-22(8-10-38)37-13-11-36(2)12-14-37)35-30-33-17-23(18-34-30)41-19-24-28(31)26(39-3)16-27(40-4)29(24)32/h5-6,15-18,22H,7-14,19H2,1-4H3,(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHPINAZPEONSQU-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