| General Property |
| Molceule ID (DB) | EGIN0002488 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 9d compound |
| IUPAC Name | (2S)-2-phenyl-2-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}amino)ethan-1-ol |
| Formula | C17H17N3OS |
| Mass | 311.401 |
| Exact Mass | 311.1092329 |
| Composition | C (65.57%), H (5.5%), N (13.49%), O (5.14%), S (10.3%) |
| Atom Count | 39 |
| PI | 9.33 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCC1 |
| InChI | 1S/C17H17N3OS/c21-9-13(11-5-2-1-3-6-11)20-16-15-12-7-4-8-14(12)22-17(15)19-10-18-16/h1-3,5-6,10,13,2
1H,4,7-9H2,(H,18,19,20)/t13-/m1/s1 |
| InChIKey | PFTGHLRKXLYNKA-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 |
49788561
|
| Drug Bank Link | - |
| ChemSpider Link | 26364383 |
| ChEMBL Link | CHEMBL1272006 |
