| General Property |
| Molceule ID (DB) | EGIN0003069 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | 4-[4-(1,3-benzothiazol-2-yl)phenoxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline |
| Formula | C29H28N4O3S |
| Mass | 512.623 |
| Exact Mass | 512.1882115 |
| Composition | C (67.95%), H (5.51%), N (10.93%), O (9.36%), S (6.26%) |
| Atom Count | 65 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ncn2)Oc1ccc(cc1)c1nc2c(s1)cccc2)OCCCN1CCCC1)OC |
| InChI | 1S/C29H28N4O3S/c1-34-25-17-22-24(18-26(25)35-16-6-15-33-13-4-5-14-33)30-19-31-28(22)36-21-11-9-20(10
-12-21)29-32-23-7-2-3-8-27(23)37-29/h2-3,7-12,17-19H,4-6,13-16H2,1H3 |
| InChIKey | ZIJIMHMKDXTURQ-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 | 19692247 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VERFR2 | Aurora B | Aurora A | VERFR2 | TIE2 | PDGFR beta | ALL |
| Pub Chem Link |
44552562
|
| Drug Bank Link | - |
| ChemSpider Link | 24648138 |
| ChEMBL Link | CHEMBL595373 |
