General Property |
Molceule ID (DB) | EGIN0000224 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7f compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
Formula | C16H11ClFN5O |
Mass | 343.743 |
Exact Mass | 343.0636159 |
Composition | C (55.91%), H (3.23%), Cl (10.31%), F (5.53%), N (20.37%), O (4.65%) |
Atom Count | 35 |
PI | 8.46 |
Smiles | O=C(Nc1nc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F)C=C |
InChI | 1S/C16H11ClFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H
,19,20,21)(H,22,23,24) |
InChIKey | KXLRVRIKQJRVCZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000224.png) | Structure Backbone | ![](./frame/f_EGIN0000224.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 | 10346932 | 10753475 | |
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 |
10854884
|
Drug Bank Link | - |
ChemSpider Link | 9030177 |
ChEMBL Link | CHEMBL28418 |