General Information of the Compound
| Compound ID |
CP0500673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,5-difluorophenyl)-4-(3-fluorophenylethynyl)thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H8F3NS
|
||||||||||||||||||
| Molecular Weight |
315.319
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)C#Cc1csc(n1)-c1cc(F)cc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H8F3NS/c18-13-3-1-2-11(6-13)4-5-16-10-22-17(21-16)12-7-14(19)9-15(20)8-12/h1-3,6-10H
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTHLADQNIASGBG-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