General Information of the Compound
| Compound ID |
CP0436999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-5,8-dimethoxy-4-oxo-1-prop-2-enylquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O4
|
||||||||||||||||||
| Molecular Weight |
422.525
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c2c1n(CC=C)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O4/c1-4-7-27-14-18(23(28)21-19(30-2)5-6-20(31-3)22(21)27)24(29)26-25-11-15-8-16(12-25)10-17(9-15)13-25/h4-6,14-17H,1,7-13H2,2-3H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBOQELXARBRXEY-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2