| General Property |
| Molceule ID (DB) | EGIN0003044 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | AZD-0530 |
| IUPAC Name | N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine |
| Formula | C27H32ClN5O5 |
| Mass | 542.026 |
| Exact Mass | 541.2091969 |
| Composition | C (59.83%), H (5.95%), Cl (6.54%), N (12.92%), O (14.76%) |
| Atom Count | 70 |
| PI | 9.94 |
| Smiles | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 |
| InChI | 1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-
21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31) |
| InChIKey | OUKYUETWWIPKQR-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 | 17064066 | 19321350 | |
| 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 |
10302451
|
| Drug Bank Link | - |
| ChemSpider Link | 8477917 |
| ChEMBL Link | CHEMBL217092 |
