General Information of the Compound
| Compound ID |
CP0394953
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3Z)-10-methoxy-3-phenacylidene-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N2O3
|
||||||||||||||||||
| Molecular Weight |
348.402
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2CCN3C(CN\C(=C/C(=O)c4ccccc4)C3=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N2O3/c1-26-16-8-7-14-9-10-23-19(17(14)11-16)13-22-18(21(23)25)12-20(24)15-5-3-2-4-6-15/h2-8,11-12,19,22H,9-10,13H2,1H3/b18-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUWRQMRQVKNYSG-PDGQHHTCSA-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