| General Property |
| Molceule ID (DB) | EGIN0003047 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | 5-(1,3-benzothiazol-2-yl)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol |
| Formula | C23H18N4O3S |
| Mass | 430.479 |
| Exact Mass | 430.1099612 |
| Composition | C (64.17%), H (4.21%), N (13.01%), O (11.15%), S (7.45%) |
| Atom Count | 49 |
| PI | 6.84 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1O)c1nc2c(s1)cccc2)OC)OC |
| InChI | 1S/C23H18N4O3S/c1-29-19-10-14-17(11-20(19)30-2)24-12-25-22(14)26-15-8-7-13(9-18(15)28)23-27-16-5-3-4
-6-21(16)31-23/h3-12,28H,1-2H3,(H,24,25,26) |
| InChIKey | YJLOLSDWRBWJAG-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 | Aurora A | Aurora B | PDGFR beta | ALL |
| Pub Chem Link |
46225679
|
| Drug Bank Link | - |
| ChemSpider Link | 24646084 |
| ChEMBL Link | CHEMBL593293 |
