| General Property |
| Molceule ID (DB) | EGIN0002517 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7f compound |
| IUPAC Name | N-(2-aminophenyl)-3-{4-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]phenyl}propanamide |
| Formula | C36H29ClFN5O2 |
| Mass | 618.099 |
| Exact Mass | 617.1993811 |
| Composition | C (69.95%), H (4.73%), Cl (5.74%), F (3.07%), N (11.33%), O (5.18%) |
| Atom Count | 74 |
| PI | 9.05 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(cc1)CCC(=O)Nc1ccccc1N |
| InChI | 1S/C36H29ClFN5O2/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/h1-9,11-16,18-20,22H,10,17,21,39H2,(H,
43,44)(H,40,41,42) |
| InChIKey | WYZOMYWEQQWFAG-UHFFFAOYSA-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 | PlK1 | PDGFR beta | Abl1 | InsR | ALL |
| Pub Chem Link |
49855951
|
| Drug Bank Link | - |
| ChemSpider Link | 26376987 |
| ChEMBL Link | CHEMBL1630116 |
