General Information of the Compound
| Compound ID |
CP0486533
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-methoxy-2-(2-phenoxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C21H20N2O4
|
||||||||||||||||||
| Molecular Weight |
364.401
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc-2c(CCn3c-2cc(OCCOc2ccccc2)nc3=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N2O4/c1-25-17-7-8-18-15(13-17)9-10-23-19(18)14-20(22-21(23)24)27-12-11-26-16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMHCYFREDYRTSZ-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