General Property |
Molceule ID (DB) | EGIN0002308 |
Inhibitor Class | Thiazolo-pyrimidine |
Molecule Name in Refrence Article | 6l compound |
IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-[2-(morpholin-4-yl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
Formula | C17H18ClFN6OS |
Mass | 408.881 |
Exact Mass | 408.0935358 |
Composition | C (49.94%), H (4.44%), Cl (8.67%), F (4.65%), N (20.55%), O (3.91%), S (7.84%) |
Atom Count | 45 |
PI | 10 |
Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)NCCN1CCOCC1 |
InChI | 1S/C17H18ClFN6OS/c18-12-9-11(1-2-13(12)19)23-15-14-16(22-10-21-15)24-17(27-14)20-3-4-25-5-7-26-8-6-2
5/h1-2,9-10H,3-8H2,(H2,20,21,22,23,24) |
InChIKey | LQQPCDIBBWIEBS-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 |
11517095
|
Drug Bank Link | - |
ChemSpider Link | 9691883 |
ChEMBL Link | CHEMBL511623 |