| General Property |
| Molceule ID (DB) | EGIN0003048 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-6,7-dimethoxyquinazolin-4-amine |
| Formula | C24H20N4O3S |
| Mass | 444.506 |
| Exact Mass | 444.1256112 |
| Composition | C (64.85%), H (4.54%), N (12.6%), O (10.8%), S (7.21%) |
| Atom Count | 52 |
| PI | 9.36 |
| Smiles | c1(c(cc2c(c1)c(ncn2)Nc1ccc(cc1OC)c1nc2c(s1)cccc2)OC)OC |
| InChI | 1S/C24H20N4O3S/c1-29-19-10-14(24-28-17-6-4-5-7-22(17)32-24)8-9-16(19)27-23-15-11-20(30-2)21(31-3)12-
18(15)25-13-26-23/h4-13H,1-3H3,(H,25,26,27) |
| InChIKey | HPJSNEQIUZAEBL-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 |
46225595
|
| Drug Bank Link | - |
| ChemSpider Link | 24647998 |
| ChEMBL Link | CHEMBL596059 |
