| General Property |
| Molceule ID (DB) | EGIN0004724 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 |
| IUPAC Name | 4-N-(3-chlorophenyl)-6-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-4,6-diamine |
| Formula | C24H21ClN4O2 |
| Mass | 432.902 |
| Exact Mass | 432.1353036 |
| Composition | C (66.59%), H (4.89%), Cl (8.19%), N (12.94%), O (7.39%) |
| Atom Count | 52 |
| PI | 10.48 |
| Smiles | c1c2OCCCOc2cc(c1)CNc1cc2c(cc1)ncnc2Nc1cccc(c1)Cl |
| InChI | 1S/C24H21ClN4O2/c25-17-3-1-4-19(12-17)29-24-20-13-18(6-7-21(20)27-15-28-24)26-14-16-5-8-22-23(11-16)
31-10-2-9-30-22/h1,3-8,11-13,15,26H,2,9-10,14H2,(H,27,28,29) |
| InChIKey | YRCJXUNBUGZDOX-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 | 22901387 |
| 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 | 28512127 |
| ChEMBL Link | - |
