General Information of the Compound
| Compound ID |
CP0439329
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4'-(1H-Tetrazol-5-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N6O3S
|
||||||||||||||||||
| Molecular Weight |
396.432
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2nnn[nH]2)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N6O3S/c1-11-12(2)21-27-18(11)22-28(25,26)16-6-4-3-5-15(16)13-7-9-14(10-8-13)17-19-23-24-20-17/h3-10,22H,1-2H3,(H,19,20,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIPHHFOUPLKPNT-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