| General Property |
| Molceule ID (DB) | EGIN0003270 |
| Inhibitor Class | Amino-thiazole |
| Molecule Name in Refrence Article | 45 compound |
| IUPAC Name | N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-(4-{[(1,3-dihydroxypropan-2-yl)amino]methyl}phenyl)acetamide |
| Formula | C23H30N4O4S2 |
| Mass | 490.639 |
| Exact Mass | 490.1708468 |
| Composition | C (56.3%), H (6.16%), N (11.42%), O (13.04%), S (13.07%) |
| Atom Count | 63 |
| PI | 9.7 |
| Smiles | c1(sc(cn1)SCc1ncc(o1)C(C)(C)C)NC(=O)Cc1ccc(CNC(CO)CO)cc1 |
| InChI | InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-1
5)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30) |
| InChIKey | InChIKey=FDWQSLRDIBRKEI-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 | 12190313 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDK1/cyclinB | CDK2/cyclinE | CDK4/cyclinD1 | EMT | Her1 | Her2 | IGFR | IKK | Lck | PKC beta | PKC epsilion | PKC zeta | PKC zeta | ZAP70 | ALL |
| Pub Chem Link |
5282335
|
| Drug Bank Link | - |
| ChemSpider Link | 4445502 |
| ChEMBL Link | CHEMBL300936 |
