| General Property |
| Molceule ID (DB) | EGIN0001520 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5d compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[2-(thiophen-2-yl)ethynyl]quinazolin-4-amine |
| Formula | C20H11ClFN3S |
| Mass | 379.838 |
| Exact Mass | 379.034624 |
| Composition | C (63.24%), H (2.92%), Cl (9.33%), F (5%), N (11.06%), S (8.44%) |
| Atom Count | 37 |
| PI | 9.91 |
| Smiles | c12c(ccc(c1)C#Cc1cccs1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C20H11ClFN3S/c21-17-11-14(5-7-18(17)22)25-20-16-10-13(3-6-15-2-1-9-26-15)4-8-19(16)23-12-24-20/h1
-2,4-5,7-12H,(H,23,24,25) |
| InChIKey | ZOLXBMQAPYBKAF-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 | 17889528 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
44442133
|
| Drug Bank Link | - |
| ChemSpider Link | 23306710 |
| ChEMBL Link | CHEMBL398963 |
