| General Property |
| Molceule ID (DB) | EGIN0002519 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8b compound |
| IUPAC Name | 5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]-N-hydroxythiophene-2-carboxamide |
| Formula | C26H18ClFN4O3S |
| Mass | 520.963 |
| Exact Mass | 520.0772171 |
| Composition | C (59.94%), H (3.48%), Cl (6.81%), F (3.65%), N (10.75%), O (9.21%), S (6.15%) |
| Atom Count | 54 |
| PI | 6.46 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(s1)C(=O)NO |
| InChI | 1S/C26H18ClFN4O3S/c27-20-12-18(5-7-22(20)35-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-3
0-25)23-8-9-24(36-23)26(33)32-34/h1-12,14,34H,13H2,(H,32,33)(H,29,30,31) |
| InChIKey | DNZYOZKYEXTOPJ-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 | Abl1 | InsR | PDGFR beta | CDK2 | PlK1 | ALL |
| Pub Chem Link |
49855953
|
| Drug Bank Link | - |
| ChemSpider Link | 26378115 |
| ChEMBL Link | CHEMBL1630118 |
