| General Property |
| Molceule ID (DB) | EGIN0002487 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 9c compound |
| IUPAC Name | (2S)-2-phenyl-2-({8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}amino)ethan-1-ol |
| Formula | C18H19N3OS |
| Mass | 325.428 |
| Exact Mass | 325.1248829 |
| Composition | C (66.43%), H (5.88%), N (12.91%), O (4.92%), S (9.85%) |
| Atom Count | 42 |
| PI | 9.33 |
| Smiles | n1cnc(N[C@H](CO)c2ccccc2)c2c1sc1c2CCCC1 |
| InChI | 1S/C18H19N3OS/c22-10-14(12-6-2-1-3-7-12)21-17-16-13-8-4-5-9-15(13)23-18(16)20-11-19-17/h1-3,6-7,11,1
4,22H,4-5,8-10H2,(H,19,20,21)/t14-/m1/s1 |
| InChIKey | RKXBEEIQSIDVHS-CQSZACIVSA-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 |
49788361
|
| Drug Bank Link | - |
| ChemSpider Link | 26362185 |
| ChEMBL Link | CHEMBL1271950 |
