General Information of the Compound
| Compound ID |
CP0575120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H12ClF4NO3
|
||||||||||||||||||
| Molecular Weight |
461.798
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H12ClF4NO3/c24-16-4-1-3-15(23(26,27)28)20(16)21(30)14-11-29(18-6-2-5-17(25)19(14)18)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWHKOHWOAVTDCW-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