General Property |
Molceule ID (DB) | EGIN0002311 |
Inhibitor Class | Thiazolo-pyrimidine |
Molecule Name in Refrence Article | 6o compound |
IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-{4-[(dimethylamino)methyl]phenyl}-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
Formula | C20H18ClFN6S |
Mass | 428.914 |
Exact Mass | 428.0986212 |
Composition | C (56.01%), H (4.23%), Cl (8.27%), F (4.43%), N (19.59%), S (7.48%) |
Atom Count | 47 |
PI | 10.64 |
Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CN(C)C |
InChI | 1S/C20H18ClFN6S/c1-28(2)10-12-3-5-13(6-4-12)26-20-27-19-17(29-20)18(23-11-24-19)25-14-7-8-16(22)15(2
1)9-14/h3-9,11H,10H2,1-2H3,(H2,23,24,25,26,27) |
InChIKey | LURCBUMOAWQHLM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002311.png) | Structure Backbone | ![](./frame/f_EGIN0002311.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 |
16037083
|
Drug Bank Link | - |
ChemSpider Link | 13165676 |
ChEMBL Link | CHEMBL513208 |