General Information of the Compound
| Compound ID |
CP0203916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]-[4-(trifluoromethyl)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H12F4O2S
|
||||||||||||||||||
| Molecular Weight |
416.395
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(sc2c1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H12F4O2S/c23-15-7-3-13(4-8-15)21-19(17-10-9-16(27)11-18(17)29-21)20(28)12-1-5-14(6-2-12)22(24,25)26/h1-11,27H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJCWMNAKHBTFFX-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