| General Property |
| Molceule ID (DB) | EGIN0002495 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | R-16 compound |
| IUPAC Name | 1-(3-{[(1R)-1-phenylethyl]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 | C20H20N4OS |
| Mass | 364.464 |
| Exact Mass | 364.135782 |
| Composition | C (65.91%), H (5.53%), N (15.37%), O (4.39%), S (8.8%) |
| Atom Count | 46 |
| PI | 10.21 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)C)c2c1sc1c2CCN(C1)C(=O)C=C |
| InChI | 1S/C20H20N4OS/c1-3-17(25)24-10-9-15-16(11-24)26-20-18(15)19(21-12-22-20)23-13(2)14-7-5-4-6-8-14/h3-8
,12-13H,1,9-11H2,2H3,(H,21,22,23)/t13-/m1/s1 |
| InChIKey | QQTRHLQUUWPNNO-CYBMUJFWSA-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 |
49788366
|
| Drug Bank Link | - |
| ChemSpider Link | 26364243 |
| ChEMBL Link | CHEMBL1272222 |
