General Property |
Molceule ID (DB) | EGIN0001196 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 24 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]-7-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
Formula | C20H18ClFN4O3 |
Mass | 416.833 |
Exact Mass | 416.1051464 |
Composition | C (57.63%), H (4.35%), Cl (8.51%), F (4.56%), N (13.44%), O (11.51%) |
Atom Count | 47 |
PI | 7.02 |
Smiles | c12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)OCCOC)NC(=O)C=C |
InChI | 1S/C20H18ClFN4O3/c1-3-18(27)25-20-17(29-7-6-28-2)10-16-19(26-20)15(23-11-24-16)9-12-4-5-14(22)13(21)
8-12/h3-5,8,10-11H,1,6-7,9H2,2H3,(H,25,26,27) |
InChIKey | FPKZEOVCLPUZDO-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001196.png) | Structure Backbone | ![](./frame/f_EGIN0001196.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 | 10956451 |
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 |
44564530
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Drug Bank Link | - |
ChemSpider Link | 23335383 |
ChEMBL Link | CHEMBL490498 |