General Information of the Compound
| Compound ID |
CP0703209
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H5F6N3O2S
|
||||||||||||||||||
| Molecular Weight |
357.235
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nsnc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H5F6N3O2S/c12-10(13,14)4-1-5(11(15,16)17)3-6(2-4)18-8(21)7-9(22)20-23-19-7/h1-3H,(H,18,21)(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGNGUMBRVWOINZ-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
Protein ID: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000111 | MDA-MB-231 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 53000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|