General Information of the Compound
| Compound ID |
CP0389124
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-bromo-8-[(3,4-dimethoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14BrNO7
|
||||||||||||||||||
| Molecular Weight |
448.225
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14BrNO7/c1-26-14-4-3-9(5-15(14)27-2)18(23)21-12-7-10(20)6-11-13(22)8-16(19(24)25)28-17(11)12/h3-8H,1-2H3,(H,21,23)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXPZMXSVNGLVQP-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: PT00624, G protein-coupled receptor GPR35
Protein ID: PT03308, G-protein coupled receptor 35
Protein ID: PT06259, G-protein coupled receptor 35