| General Property |
| Molceule ID (DB) | EGIN0002493 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-14 compound |
| IUPAC Name | (2S)-2-{[11-(ethenesulfonyl)-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl]amino}-2-phenylethan-1-ol |
| Formula | C19H20N4O3S2 |
| Mass | 416.517 |
| Exact Mass | 416.0976819 |
| Composition | C (54.79%), H (4.84%), N (13.45%), O (11.52%), S (15.4%) |
| Atom Count | 48 |
| PI | 9.1 |
| Smiles | n1cnc(N[C@@H](c2ccccc2)CO)c2c1sc1c2CCN(C1)S(=O)(=O)C=C |
| InChI | 1S/C19H20N4O3S2/c1-2-28(25,26)23-9-8-14-16(10-23)27-19-17(14)18(20-12-21-19)22-15(11-24)13-6-4-3-5-7
-13/h2-7,12,15,24H,1,8-11H2,(H,20,21,22)/t15-/m1/s1 |
| InChIKey | KJSBVTTXMQLESA-OAHLLOKOSA-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 |
49788364
|
| Drug Bank Link | - |
| ChemSpider Link | 26364380 |
| ChEMBL Link | CHEMBL1272167 |
