General Information of the Compound
| Compound ID |
CP0568807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[1-[2,3,4-tris(trifluoromethyl)phenyl]triazol-4-yl]phenyl] sulfamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H9F9N4O3S
|
||||||||||||||||||
| Molecular Weight |
520.333
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1ccc(c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H9F9N4O3S/c18-15(19,20)10-5-6-12(14(17(24,25)26)13(10)16(21,22)23)30-7-11(28-29-30)8-1-3-9(4-2-8)33-34(27,31)32/h1-7H,(H2,27,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFGNJEXNQDMABS-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 | |||||||||||||||||||
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