General Property |
Molceule ID (DB) | EGIN0000794 |
Inhibitor Class | Anilino-pyrimidine |
Molecule Name in Refrence Article | 8s compound |
IUPAC Name | (5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}furan-2-yl)methanol |
Formula | C24H17ClFN3O3 |
Mass | 449.861 |
Exact Mass | 449.0942473 |
Composition | C (64.08%), H (3.81%), Cl (7.88%), F (4.22%), N (9.34%), O (10.67%) |
Atom Count | 49 |
PI | 8.16 |
Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1ccc(o1)CO |
InChI | 1S/C24H17ClFN3O3/c25-22-11-19(5-9-23(22)31-14-16-2-1-3-18(26)10-16)29-24-17(12-27-15-28-24)4-6-20-7-
8-21(13-30)32-20/h1-3,5,7-12,15,30H,13-14H2,(H,27,28,29) |
InChIKey | KOKYNLBDBNLOPA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000794.png) | Structure Backbone | ![](./frame/f_EGIN0000794.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 |
11561468
|
Drug Bank Link | - |
ChemSpider Link | 9736242 |
ChEMBL Link | CHEMBL204467 |