General Information of the Compound
| Compound ID |
CP0546437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F3N4O
|
||||||||||||||||||
| Molecular Weight |
412.415
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F3N4O/c23-22(24,25)19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(30)28-11-13-29(14-12-28)21-26-9-2-10-27-21/h1-10,15H,11-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNYOKIADMYAOIR-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