General Information of the Compound
| Compound ID |
CP0158347
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16F3NO2S
|
||||||||||||||||||
| Molecular Weight |
427.447
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16F3NO2S/c1-30(28,29)18-8-3-6-16(14-18)15-5-2-7-17(13-15)19-11-12-27-22-20(19)9-4-10-21(22)23(24,25)26/h2-14H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KIITVWQUUAGGON-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