General Information of the Compound
| Compound ID |
CP0404415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24F2N6O
|
||||||||||||||||||
| Molecular Weight |
474.515
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccc1F)-c1cn(CC(=O)N2CCN(CC2)c2ncc(F)cn2)c(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24F2N6O/c1-18-13-20(7-8-22(18)28)23-16-34(25(31-23)19-5-3-2-4-6-19)17-24(35)32-9-11-33(12-10-32)26-29-14-21(27)15-30-26/h2-8,13-16H,9-12,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDQGKOLKBWBMAV-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