| General Property |
| Molceule ID (DB) | EGIN0002514 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7c compound |
| IUPAC Name | (2E)-N-(2-aminophenyl)-3-{5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}prop-2-enamide |
| Formula | C34H25ClFN5O3 |
| Mass | 606.045 |
| Exact Mass | 605.1629956 |
| Composition | C (67.38%), H (4.16%), Cl (5.85%), F (3.13%), N (11.56%), O (7.92%) |
| Atom Count | 69 |
| PI | 9.14 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(o1)/C=C/C(=O)Nc1ccccc1N |
| InChI | 1S/C34H25ClFN5O3/c35-27-18-24(9-13-32(27)43-19-21-4-3-5-23(36)16-21)40-34-26-17-22(8-12-29(26)38-20-
39-34)31-14-10-25(44-31)11-15-33(42)41-30-7-2-1-6-28(30)37/h1-18,20H,19,37H2,(H,41,42)(H,38,39,40)/b
15-11+ |
| InChIKey | IBUAKKIEDFKTKJ-RVDMUPIBSA-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 | Abl1 | InsR | PlK1 | ALL |
| Pub Chem Link |
49855761
|
| Drug Bank Link | - |
| ChemSpider Link | 26378962 |
| ChEMBL Link | CHEMBL1630113 |
