| General Property |
| Molceule ID (DB) | EGIN0002496 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | R-17 compound |
| IUPAC Name | 1-(3-{[(1R)-1-phenylpropyl]amino}-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-11-yl)prop-2-en-1-one |
| Formula | C21H22N4OS |
| Mass | 378.491 |
| Exact Mass | 378.151432 |
| Composition | C (66.64%), H (5.86%), N (14.8%), O (4.23%), S (8.47%) |
| Atom Count | 49 |
| PI | 10.12 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CC)c2c1sc1c2CCN(C1)C(=O)C=C |
| InChI | 1S/C21H22N4OS/c1-3-16(14-8-6-5-7-9-14)24-20-19-15-10-11-25(18(26)4-2)12-17(15)27-21(19)23-13-22-20/h
4-9,13,16H,2-3,10-12H2,1H3,(H,22,23,24)/t16-/m1/s1 |
| InChIKey | HWDOWDDBEOZIIE-MRXNPFEDSA-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 | 20961149 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
49788425
|
| Drug Bank Link | - |
| ChemSpider Link | 26362218 |
| ChEMBL Link | CHEMBL1272223 |
