General Information of the Compound
| Compound ID |
CP0867220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
triethylamine 3-(5-sulfamoylthiophen-2-yl)-5-(4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F3N5O4S2
|
||||||||||||||||||
| Molecular Weight |
595.669
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CC.NS(=O)(=O)c1ccc(-c2cc(C(=O)O)cc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)c2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H13F3N4O4S2.C6H15N/c21-20(22,23)14-3-1-11(2-4-14)16-10-27(26-25-16)15-8-12(7-13(9-15)19(28)29)17-5-6-18(32-17)33(24,30)31;1-4-7(5-2)6-3/h1-10H,(H,28,29)(H2,24,30,31);4-6H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUFQWOVNSXTAED-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