General Information of the Compound
| Compound ID |
CP0394955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3Z)-3-[2-(2-fluorophenyl)-2-oxoethylidene]-9,10-dimethoxy-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN2O4
|
||||||||||||||||||
| Molecular Weight |
396.418
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN3C(CN\C(=C/C(=O)c4ccccc4F)C3=O)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN2O4/c1-28-20-9-13-7-8-25-18(15(13)10-21(20)29-2)12-24-17(22(25)27)11-19(26)14-5-3-4-6-16(14)23/h3-6,9-11,18,24H,7-8,12H2,1-2H3/b17-11-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZGPNHGDCWRDKU-BOPFTXTBSA-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