General Information of the Compound
| Compound ID |
CP0394935
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(bromomethyl)-5-methoxy-3-[(3-methoxyphenyl)methyl]chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17BrO4
|
||||||||||||||||||
| Molecular Weight |
389.245
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(Cc2cc3c(OC)cc(CBr)cc3oc2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17BrO4/c1-22-15-5-3-4-12(7-15)6-14-10-16-17(23-2)8-13(11-20)9-18(16)24-19(14)21/h3-5,7-10H,6,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WENLBRLGGKESMP-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
Protein ID: PT05453, G-protein coupled receptor 55