| General Property |
| Molceule ID (DB) | EGIN0004449 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 5z |
| IUPAC Name | 8-[(4-tert-butylphenyl)amino]-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one |
| Formula | C26H31N5O3 |
| Mass | 461.556 |
| Exact Mass | 461.2426899 |
| Composition | C (67.66%), H (6.77%), N (15.17%), O (10.4%) |
| Atom Count | 65 |
| PI | 11.4 |
| Smiles | C1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)C(C)(C)C |
| InChI | 1S/C26H31N5O3/c1-26(2,3)18-5-7-19(8-6-18)29-24-20-15-22-23(16-21(20)27-17-28-24)34-25(32)31(22)10-4-
9-30-11-13-33-14-12-30/h5-8,15-17H,4,9-14H2,1-3H3,(H,27,28,29) |
| InChIKey | VBQRWKQKLUNGCA-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 | 28522099 |
| ChEMBL Link | - |
