| General Property |
| Molceule ID (DB) | EGIN0001180 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]-7-{3-[(3S)-morpholin-3-yl]propoxy}quinazolin-6-yl}prop-2-enamide |
| Formula | C24H26BrN5O3 |
| Mass | 512.399 |
| Exact Mass | 511.1219024 |
| Composition | C (56.26%), H (5.11%), Br (15.59%), N (13.67%), O (9.37%) |
| Atom Count | 59 |
| PI | 10.61 |
| Smiles | Brc1cccc(Nc2ncnc3cc(OCCC[C@H]4COCCN4)c(NC(=O)C=C)cc23)c1 |
| InChI | 1S/C24H26BrN5O3/c1-2-23(31)30-21-12-19-20(13-22(21)33-9-4-7-18-14-32-10-8-26-18)27-15-28-24(19)29-17
-6-3-5-16(25)11-17/h2-3,5-6,11-13,15,18,26H,1,4,7-10,14H2,(H,30,31)(H,27,28,29)/t18-/m0/s1 |
| InChIKey | YFBJQKWRGQHBDE-SFHVURJKSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 10956451 |
| 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 | - |
| ChEMBL Link | - |
