General Property |
Molceule ID (DB) | EGIN0002297 |
Inhibitor Class | Thiazolo-pyrimidine |
Molecule Name in Refrence Article | 6a compound |
IUPAC Name | 4-({7-[(2,6-difluorophenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)benzene-1-sulfonamide |
Formula | C17H12F2N6O2S2 |
Mass | 434.443 |
Exact Mass | 434.0431214 |
Composition | C (47%), H (2.78%), F (8.75%), N (19.34%), O (7.37%), S (14.76%) |
Atom Count | 41 |
PI | 5.66 |
Smiles | n1c(sc2c1ncnc2Nc1c(cccc1F)F)Nc1ccc(cc1)S(=O)(=O)N |
InChI | 1S/C17H12F2N6O2S2/c18-11-2-1-3-12(19)13(11)24-15-14-16(22-8-21-15)25-17(28-14)23-9-4-6-10(7-5-9)29(2
0,26)27/h1-8H,(H2,20,26,27)(H2,21,22,23,24,25) |
InChIKey | HGZQTJZFKROIJB-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 |
16037278
|
Drug Bank Link | - |
ChemSpider Link | 13165869 |
ChEMBL Link | CHEMBL513716 |