General Property |
Molceule ID (DB) | EGIN0002302 |
Inhibitor Class | Thiazolo-pyrimidine |
Molecule Name in Refrence Article | 6f compound |
IUPAC Name | 4-({7-[(3-methylphenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)benzene-1-sulfonamide |
Formula | C18H16N6O2S2 |
Mass | 412.489 |
Exact Mass | 412.0776152 |
Composition | C (52.41%), H (3.91%), N (20.37%), O (7.76%), S (15.55%) |
Atom Count | 44 |
PI | 7.05 |
Smiles | n1c(sc2c1ncnc2Nc1cc(ccc1)C)Nc1ccc(cc1)S(=O)(=O)N |
InChI | 1S/C18H16N6O2S2/c1-11-3-2-4-13(9-11)22-16-15-17(21-10-20-16)24-18(27-15)23-12-5-7-14(8-6-12)28(19,25
)26/h2-10H,1H3,(H2,19,25,26)(H2,20,21,22,23,24) |
InChIKey | DKCJHJKLYAZBHE-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
44592213
|
Drug Bank Link | - |
ChemSpider Link | 24715923 |
ChEMBL Link | CHEMBL513362 |