General Property |
Molceule ID (DB) | EGIN0002299 |
Inhibitor Class | Thiazolo-pyrimidine |
Molecule Name in Refrence Article | 6c compound |
IUPAC Name | 4-({7-[(3-chlorophenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)benzene-1-sulfonamide |
Formula | C17H13ClN6O2S2 |
Mass | 432.907 |
Exact Mass | 432.0229928 |
Composition | C (47.17%), H (3.03%), Cl (8.19%), N (19.41%), O (7.39%), S (14.81%) |
Atom Count | 41 |
PI | 7.04 |
Smiles | n1c(sc2c1ncnc2Nc1cc(ccc1)Cl)Nc1ccc(cc1)S(=O)(=O)N |
InChI | 1S/C17H13ClN6O2S2/c18-10-2-1-3-12(8-10)22-15-14-16(21-9-20-15)24-17(27-14)23-11-4-6-13(7-5-11)28(19,
25)26/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24) |
InChIKey | LGNHZHXEPGBZSM-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 |
44592210
|
Drug Bank Link | - |
ChemSpider Link | 24716220 |
ChEMBL Link | CHEMBL513418 |