General Information of the Compound
| Compound ID |
CP0515912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-Chloro-8-trifluoromethyl-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H11ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
305.687
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc2NC(=O)C3CNCCN3c2cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H11ClF3N3O/c13-7-4-9-8(3-6(7)12(14,15)16)18-11(20)10-5-17-1-2-19(9)10/h3-4,10,17H,1-2,5H2,(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSFRIVKFHJGLDR-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
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C