General Information of the Compound
| Compound ID |
CP0579938
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]amino]phenyl]pyridine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N8O5S
|
||||||||||||||||||
| Molecular Weight |
494.493
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(cc1)-c1cccc(n1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N8O5S/c22-19-27-20(24-13-8-10-15(11-9-13)35(23,33)34)28-29(19)21(32)25-14-6-4-12(5-7-14)16-2-1-3-17(26-16)18(30)31/h1-11H,(H,25,32)(H,30,31)(H2,23,33,34)(H3,22,24,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZGWJCGSYKZORJ-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