| General Property |
| Molceule ID (DB) | EGIN0001819 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 44 compound |
| IUPAC Name | 2-{[(4-{4-[(1H-indol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}phenyl)methyl]amino}-2-methylpropan-1-ol |
| Formula | C25H25N5OS |
| Mass | 443.564 |
| Exact Mass | 443.1779811 |
| Composition | C (67.69%), H (5.68%), N (15.79%), O (3.61%), S (7.23%) |
| Atom Count | 57 |
| PI | 11.63 |
| Smiles | c12sc(cc2ncnc1Nc1cc2c([nH]cc2)cc1)c1ccc(CNC(CO)(C)C)cc1 |
| InChI | 1S/C25H25N5OS/c1-25(2,14-31)29-13-16-3-5-17(6-4-16)22-12-21-23(32-22)24(28-15-27-21)30-19-7-8-20-18(
11-19)9-10-26-20/h3-12,15,26,29,31H,13-14H2,1-2H3,(H,27,28,30) |
| InChIKey | KJTNEZSZMBPREH-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 | 14684289 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR | |
| Pub Chem Link |
44316725
|
| Drug Bank Link | - |
| ChemSpider Link | 23168838 |
| ChEMBL Link | CHEMBL308498 |
