| General Property |
| Molceule ID (DB) | EGIN0001817 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 42 compound |
| IUPAC Name | 1-[(4-{4-[(1H-indol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}phenyl)methyl]piperidine-4-carboxamide |
| Formula | C27H26N6OS |
| Mass | 482.6 |
| Exact Mass | 482.1888802 |
| Composition | C (67.2%), H (5.43%), N (17.41%), O (3.32%), S (6.64%) |
| Atom Count | 61 |
| PI | 11.6 |
| Smiles | c12sc(cc2ncnc1Nc1cc2c([nH]cc2)cc1)c1ccc(CN2CC[C@H](C(=O)N)CC2)cc1 |
| InChI | 1S/C27H26N6OS/c28-26(34)19-8-11-33(12-9-19)15-17-1-3-18(4-2-17)24-14-23-25(35-24)27(31-16-30-23)32-2
1-5-6-22-20(13-21)7-10-29-22/h1-7,10,13-14,16,19,29H,8-9,11-12,15H2,(H2,28,34)(H,30,31,32) |
| InChIKey | PSRIIUUKNWOHQJ-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 |
44316797
|
| Drug Bank Link | - |
| ChemSpider Link | 23168919 |
| ChEMBL Link | CHEMBL311109 |
