General Information of the Compound
| Compound ID |
CP0380633
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)propyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N3O2
|
||||||||||||||||||
| Molecular Weight |
373.456
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N3O2/c1-16-17(23(27)26-13-5-4-10-22(26)24-16)8-6-12-25-14-11-21-19(15-25)18-7-2-3-9-20(18)28-21/h2-5,7,9-10,13H,6,8,11-12,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKLYBLFGKSXYJZ-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor