General Property |
Molceule ID (DB) | EGIN0002298 |
Inhibitor Class | Thiazolo-pyrimidine |
Molecule Name in Refrence Article | 6b compound |
IUPAC Name | 4-{[7-(phenylamino)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]amino}benzene-1-sulfonamide |
Formula | C17H14N6O2S2 |
Mass | 398.462 |
Exact Mass | 398.0619651 |
Composition | C (51.24%), H (3.54%), N (21.09%), O (8.03%), S (16.09%) |
Atom Count | 41 |
PI | 7.05 |
Smiles | n1c(sc2c1ncnc2Nc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N |
InChI | 1S/C17H14N6O2S2/c18-27(24,25)13-8-6-12(7-9-13)22-17-23-16-14(26-17)15(19-10-20-16)21-11-4-2-1-3-5-11
/h1-10H,(H2,18,24,25)(H2,19,20,21,22,23) |
InChIKey | VFKYFVARGWUQHK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002298.png) | Structure Backbone | ![](./frame/f_EGIN0002298.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 19286381 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
44592167
|
Drug Bank Link | - |
ChemSpider Link | 24714126 |
ChEMBL Link | CHEMBL511839 |