| General Property |
| Molceule ID (DB) | EGIN0002489 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-10/33a compound |
| IUPAC Name | (2S)-2-phenyl-2-({8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}amino)ethan-1-ol |
| Formula | C17H18N4OS |
| Mass | 326.416 |
| Exact Mass | 326.1201319 |
| Composition | C (62.55%), H (5.56%), N (17.16%), O (4.9%), S (9.82%) |
| Atom Count | 41 |
| PI | 11.92 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCNC1 |
| InChI | 1S/C17H18N4OS/c22-9-13(11-4-2-1-3-5-11)21-16-15-12-6-7-18-8-14(12)23-17(15)20-10-19-16/h1-5,10,13,18
,22H,6-9H2,(H,19,20,21)/t13-/m1/s1 |
| InChIKey | YJKYRXWDWPMWEG-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 |
49788642
|
| Drug Bank Link | - |
| ChemSpider Link | 26361765 |
| ChEMBL Link | CHEMBL1272060 |
