General Information of the Compound
| Compound ID |
CP0038715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15F4NO2S
|
||||||||||||||||||
| Molecular Weight |
445.437
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cc(ccc1F)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15F4NO2S/c1-31(29,30)21-13-15(8-9-20(21)24)14-4-2-5-16(12-14)17-10-11-28-22-18(17)6-3-7-19(22)23(25,26)27/h2-13H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIFYDQQBXMOQLW-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