| General Property |
| Molceule ID (DB) | EGIN0002513 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | N-(2-aminophenyl)-5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]thiophene-2-carboxamide |
| Formula | C32H23ClFN5O2S |
| Mass | 596.074 |
| Exact Mass | 595.1245016 |
| Composition | C (64.48%), H (3.89%), Cl (5.95%), F (3.19%), N (11.75%), O (5.37%), S (5.38%) |
| Atom Count | 65 |
| PI | 7.54 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(s1)C(=O)Nc1ccccc1N |
| InChI | 1S/C32H23ClFN5O2S/c33-24-16-22(9-11-28(24)41-17-19-4-3-5-21(34)14-19)38-31-23-15-20(8-10-26(23)36-18
-37-31)29-12-13-30(42-29)32(40)39-27-7-2-1-6-25(27)35/h1-16,18H,17,35H2,(H,39,40)(H,36,37,38) |
| InChIKey | NVVASLWKXTZLJN-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 | PDGFR beta | InsR | PlK1 | Abl1 | ALL |
| Pub Chem Link |
49855760
|
| Drug Bank Link | - |
| ChemSpider Link | 26381015 |
| ChEMBL Link | CHEMBL1630112 |
