| General Property |
| Molceule ID (DB) | EGIN0004475 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5b |
| IUPAC Name | 8-[(3-ethynylphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
| Formula | C24H23N5O3 |
| Mass | 429.4711 |
| Exact Mass | 429.1800896 |
| Composition | C (67.12%), H (5.4%), N (16.31%), O (11.18%) |
| Atom Count | 55 |
| PI | 11.13 |
| Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1cc(ccc1)C#C |
| InChI | 1S/C24H23N5O3/c1-2-17-5-3-6-18(13-17)27-23-19-14-21-22(15-20(19)25-16-26-23)32-24(30)29(21)8-4-7-28-
9-11-31-12-10-28/h1,3,5-6,13-16H,4,7-12H2,(H,25,26,27) |
| InChIKey | XBUNTIFKJLRDJJ-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 | 22818848 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 28509898 |
| ChEMBL Link | - |
