General Property |
Molceule ID (DB) | EGIN0001229 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5a (ML04) |
IUPAC Name | (2E)-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
Formula | C20H18Cl2FN5O |
Mass | 434.294 |
Exact Mass | 433.0872438 |
Composition | C (55.31%), H (4.18%), Cl (16.33%), F (4.37%), N (16.13%), O (3.68%) |
Atom Count | 47 |
PI | 10.89 |
Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(C)C)ncnc2Nc1c(cc(c(c1)Cl)Cl)F |
InChI | 1S/C20H18Cl2FN5O/c1-28(2)7-3-4-19(29)26-12-5-6-17-13(8-12)20(25-11-24-17)27-18-10-15(22)14(21)9-16(1
8)23/h3-6,8-11H,7H2,1-2H3,(H,26,29)(H,24,25,27)/b4-3+ |
InChIKey | XDYCDXFDVOBDOO-ONEGZZNKSA-N |
2D Structure | ![](./image/EGIN0001229.png) | Structure Backbone | ![](./frame/f_EGIN0001229.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 | 15093817 | 16078851 | 17574425 | |
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 |
21080010
|
Drug Bank Link | - |
ChemSpider Link | 19887912 |
ChEMBL Link | CHEMBL190094 |