| General Property |
| Molceule ID (DB) | EGIN0002244 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]-2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C21H17N5O2S |
| Mass | 403.457 |
| Exact Mass | 403.1102955 |
| Composition | C (62.52%), H (4.25%), N (17.36%), O (7.93%), S (7.95%) |
| Atom Count | 46 |
| PI | 8.99 |
| Smiles | c1c(ccc(c1OC)c1nc2c(s1)cccc2)Nc1nc(nc2c1cc[nH]2)OC |
| InChI | 1S/C21H17N5O2S/c1-27-16-11-12(23-19-14-9-10-22-18(14)25-21(26-19)28-2)7-8-13(16)20-24-15-5-3-4-6-17(
15)29-20/h3-11H,1-2H3,(H2,22,23,25,26) |
| InChIKey | AOUMXCXOJGAKLX-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 | InsR | Src | TIE2 | IGF1R | VEGFR3 | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23335870 |
| ChEMBL Link | CHEMBL475351 |
