General Information of the Compound
| Compound ID |
CP0557935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-(trifluoromethyl)phenoxy]butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C21H20F3N3O2
|
||||||||||||||||||
| Molecular Weight |
403.404
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F3N3O2/c22-21(23,24)15-7-9-16(10-8-15)29-14-4-3-11-26-12-13-27-18-6-2-1-5-17(18)25-19(27)20(26)28/h1-2,5-10H,3-4,11-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYGGIKBFIOJSGW-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 | |||||||||||||||||||
| 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