General Information of the Compound
| Compound ID |
CP0453386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-oxo-1-pentyl-N-phenylmethoxy-7-phenylsulfanylquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N2O3S
|
||||||||||||||||||
| Molecular Weight |
472.61
|
||||||||||||||||||
| Canonical SMILES |
CCCCCn1cc(C(=O)NOCc2ccccc2)c(=O)c2ccc(Sc3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N2O3S/c1-2-3-10-17-30-19-25(28(32)29-33-20-21-11-6-4-7-12-21)27(31)24-16-15-23(18-26(24)30)34-22-13-8-5-9-14-22/h4-9,11-16,18-19H,2-3,10,17,20H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFCBEUZEPPCELQ-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