General Information of the Compound
| Compound ID |
CP0495727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(4-fluorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
Show/Hide
|
||||||||||||||||||
| Formula |
C19H20FN3S
|
||||||||||||||||||
| Molecular Weight |
341.455
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(SCCCN2CCn3c(C2)nc2ccccc32)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20FN3S/c20-15-6-8-16(9-7-15)24-13-3-10-22-11-12-23-18-5-2-1-4-17(18)21-19(23)14-22/h1-2,4-9H,3,10-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
URMGALQROJWRDX-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