General Information of the Compound
| Compound ID |
CP0566006
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{[(6-Bromo-3-chloro-2-phenylquinolin-4-yl)carbonyl]amino}-3-fluorobenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H13BrClFN2O3
|
||||||||||||||||||
| Molecular Weight |
499.723
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(NC(=O)c2c(Cl)c(nc3ccc(Br)cc23)-c2ccccc2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H13BrClFN2O3/c24-14-7-9-17-15(11-14)19(20(25)21(27-17)12-4-2-1-3-5-12)22(29)28-18-8-6-13(23(30)31)10-16(18)26/h1-11H,(H,28,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUSZDQLSAKGDDL-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