General Information of the Compound
| Compound ID |
CP0395600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-8-[(4-nitrobenzoyl)amino]-4-oxochromene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H9ClN2O7
|
||||||||||||||||||
| Molecular Weight |
388.719
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(=O)c2cc(Cl)cc(NC(=O)c3ccc(cc3)[N+]([O-])=O)c2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H9ClN2O7/c18-9-5-11-13(21)7-14(17(23)24)27-15(11)12(6-9)19-16(22)8-1-3-10(4-2-8)20(25)26/h1-7H,(H,19,22)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTOZDRBGYCGCQR-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