| General Property |
| Molceule ID (DB) | EGIN0002235 |
| Inhibitor Class | Benzo-thiazole |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | 4-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N-methylpyrimidine-2,4-diamine |
| Formula | C18H15N5S |
| Mass | 333.41 |
| Exact Mass | 333.1048162 |
| Composition | C (64.84%), H (4.53%), N (21.01%), S (9.62%) |
| Atom Count | 39 |
| PI | 10.99 |
| Smiles | c1c(ccc(c1)c1nc2c(s1)cccc2)Nc1ccnc(n1)NC |
| InChI | 1S/C18H15N5S/c1-19-18-20-11-10-16(23-18)21-13-8-6-12(7-9-13)17-22-14-4-2-3-5-15(14)24-17/h2-11H,1H3,
(H2,19,20,21,23) |
| InChIKey | IXMITROVYBNKPV-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 | VEGFR2 | VEGFR3 | InsR | ALL |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23335763 |
| ChEMBL Link | CHEMBL512933 |
