| General Property |
| Molceule ID (DB) | EGIN0002260 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 29 compound |
| IUPAC Name | 4-N-[4-(1,3-benzothiazol-2-yl)phenyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine |
| Formula | C24H21N5O2S |
| Mass | 443.521 |
| Exact Mass | 443.1415956 |
| Composition | C (64.99%), H (4.77%), N (15.79%), O (7.21%), S (7.23%) |
| Atom Count | 53 |
| PI | 11.07 |
| Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1nc(nc2c1cc(c(c2)OC)OC)NC |
| InChI | 1S/C24H21N5O2S/c1-25-24-28-18-13-20(31-3)19(30-2)12-16(18)22(29-24)26-15-10-8-14(9-11-15)23-27-17-6-
4-5-7-21(17)32-23/h4-13H,1-3H3,(H2,25,26,28,29) |
| InChIKey | JMAGQLOPVXHYBU-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 | 19211246 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora A | Aurora B | EphB4 | IGF1R | Src | TIE2 | VEGFR2 | InsR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23336028 |
| ChEMBL Link | CHEMBL514941 |
