General Information of the Compound
| Compound ID |
CP0382697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]-N-(3-fluorophenyl)ethanethioamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17FN6S2
|
||||||||||||||||||
| Molecular Weight |
460.563
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(F)c2)cc1-c1ccc2nsnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17FN6S2/c1-14-4-2-7-20(25-14)23-18(15-8-9-19-21(10-15)29-32-28-19)12-30(27-23)13-22(31)26-17-6-3-5-16(24)11-17/h2-12H,13H2,1H3,(H,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TVWMUKRZUMLJMU-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