General Information of the Compound
| Compound ID |
CP0396892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-adamantyl)-2-butyl-6-(furan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N2O3
|
||||||||||||||||||
| Molecular Weight |
444.575
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1nc2ccc(cc2c(O)c1C(=O)NC12CC3CC(CC(C3)C1)C2)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N2O3/c1-2-3-5-23-25(27(32)30-28-14-17-10-18(15-28)12-19(11-17)16-28)26(31)21-13-20(7-8-22(21)29-23)24-6-4-9-33-24/h4,6-9,13,17-19H,2-3,5,10-12,14-16H2,1H3,(H,29,31)(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOQYFFDGCOMQQV-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