General Property |
Molceule ID (DB) | EGIN0000793 |
Inhibitor Class | Anilino-pyrimidine |
Molecule Name in Refrence Article | 8r compound |
IUPAC Name | (4-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}-1,3-thiazol-2-yl)methanol |
Formula | C23H16ClFN4O2S |
Mass | 466.915 |
Exact Mass | 466.0666524 |
Composition | C (59.16%), H (3.45%), Cl (7.59%), F (4.07%), N (12%), O (6.85%), S (6.87%) |
Atom Count | 48 |
PI | 8.1 |
Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1csc(n1)CO |
InChI | 1S/C23H16ClFN4O2S/c24-20-9-18(6-7-21(20)31-12-15-2-1-3-17(25)8-15)29-23-16(10-26-14-27-23)4-5-19-13-
32-22(11-30)28-19/h1-3,6-10,13-14,30H,11-12H2,(H,26,27,29) |
InChIKey | YKQCCMOWWKAYOX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000793.png) | Structure Backbone | ![](./frame/f_EGIN0000793.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 | 16483772 |
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 |
11583563
|
Drug Bank Link | - |
ChemSpider Link | 9758328 |
ChEMBL Link | CHEMBL205047 |