| General Property |
| Molceule ID (DB) | EGIN0001816 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 41 compound |
| IUPAC Name | N-(2-{[(4-{4-[(1H-indol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}phenyl)methyl]amino}ethyl)acetamide |
| Formula | C25H24N6OS |
| Mass | 456.563 |
| Exact Mass | 456.1732301 |
| Composition | C (65.77%), H (5.3%), N (18.41%), O (3.5%), S (7.02%) |
| Atom Count | 57 |
| PI | 11.51 |
| Smiles | c12sc(cc2ncnc1Nc1cc2c([nH]cc2)cc1)c1ccc(cc1)CNCCNC(=O)C |
| InChI | 1S/C25H24N6OS/c1-16(32)27-11-10-26-14-17-2-4-18(5-3-17)23-13-22-24(33-23)25(30-15-29-22)31-20-6-7-21
-19(12-20)8-9-28-21/h2-9,12-13,15,26,28H,10-11,14H2,1H3,(H,27,32)(H,29,30,31) |
| InChIKey | PDLBTPKSQYCOOT-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 |
18382946
|
| Drug Bank Link | - |
| ChemSpider Link | 13367553 |
| ChEMBL Link | CHEMBL80809 |
