General Information of the Compound
| Compound ID |
CP0048990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3,4-difluorobenzylamino)-N-(3-(trifluoromethyl)phenyl)isothiazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12F5N3OS
|
||||||||||||||||||
| Molecular Weight |
413.371
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CNc2csnc2C(=O)Nc2cccc(c2)C(F)(F)F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12F5N3OS/c19-13-5-4-10(6-14(13)20)8-24-15-9-28-26-16(15)17(27)25-12-3-1-2-11(7-12)18(21,22)23/h1-7,9,24H,8H2,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBHMADNCGMKZSP-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