| General Property |
| Molceule ID (DB) | EGIN0001513 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8b compound |
| IUPAC Name | N-(3-ethynylphenyl)-6-{4-[(methanesulfonylmethyl)amino]butoxy}quinazolin-4-amine |
| Formula | C22H24N4O3S |
| Mass | 424.516 |
| Exact Mass | 424.1569113 |
| Composition | C (62.24%), H (5.7%), N (13.2%), O (11.31%), S (7.55%) |
| Atom Count | 54 |
| PI | 11.43 |
| Smiles | c12c(ccc(c1)OCCCCNCS(=O)(=O)C)ncnc2Nc1cc(ccc1)C#C |
| InChI | 1S/C22H24N4O3S/c1-3-17-7-6-8-18(13-17)26-22-20-14-19(9-10-21(20)24-15-25-22)29-12-5-4-11-23-16-30(2,
27)28/h1,6-10,13-15,23H,4-5,11-12,16H2,2H3,(H,24,25,26) |
| InChIKey | MQTFOGCFGVBQOD-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 | 14684309 |
| 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 |
44269724
|
| Drug Bank Link | - |
| ChemSpider Link | 23113907 |
| ChEMBL Link | CHEMBL14543 |
