General Information of the Compound
| Compound ID |
CP0458593
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-(4-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F6N5
|
||||||||||||||||||
| Molecular Weight |
441.379
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1c[nH]c(n1)N1CCN(CC1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F6N5/c21-19(22,23)14-5-3-13(4-6-14)16-12-28-18(29-16)31-10-8-30(9-11-31)17-15(20(24,25)26)2-1-7-27-17/h1-7,12H,8-11H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIJIVSPFADJGFP-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