General Information of the Compound
| Compound ID |
CP0125898
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-fluoro-6-methoxy-4-[4-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27FN4O2
|
||||||||||||||||||
| Molecular Weight |
434.515
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27FN4O2/c1-16-20(17-4-6-19(7-5-17)30-10-8-29(2)9-11-30)14-28-15-21(16)18-12-22(26)24(25(27)31)23(13-18)32-3/h4-7,12-15H,8-11H2,1-3H3,(H2,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOUWFECDLDOKNV-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