| General Property |
| Molceule ID (DB) | EGIN0002516 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7e compound |
| IUPAC Name | (2E)-N-(2-aminophenyl)-3-{4-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]phenyl}prop-2-enamide |
| Formula | C36H27ClFN5O2 |
| Mass | 616.083 |
| Exact Mass | 615.183731 |
| Composition | C (70.18%), H (4.42%), Cl (5.75%), F (3.08%), N (11.37%), O (5.19%) |
| Atom Count | 72 |
| PI | 9.23 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(cc1)/C=C/C(=O)Nc1ccccc1N |
| InChI | 1S/C36H27ClFN5O2/c37-30-20-28(14-16-34(30)45-21-24-4-3-5-27(38)18-24)42-36-29-19-26(13-15-32(29)40-2
2-41-36)25-11-8-23(9-12-25)10-17-35(44)43-33-7-2-1-6-31(33)39/h1-20,22H,21,39H2,(H,43,44)(H,40,41,42
)/b17-10+ |
| InChIKey | NREXZVOJRVRMAI-LICLKQGHSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 21080629 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKA | CDK2 | PDGFR beta | InsR | Abl1 | PlK1 | ALL |
| Pub Chem Link |
49855950
|
| Drug Bank Link | - |
| ChemSpider Link | 26379448 |
| ChEMBL Link | CHEMBL1630115 |
