| General Property |
| Molceule ID (DB) | EGIN0002505 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | S-26 compound |
| IUPAC Name | (2E)-4-(dimethylamino)-1-(3-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-11-yl)but-2-en-1-one |
| Formula | C24H29N5O2S |
| Mass | 451.584 |
| Exact Mass | 451.2041959 |
| Composition | C (63.83%), H (6.47%), N (15.51%), O (7.09%), S (7.1%) |
| Atom Count | 61 |
| PI | 11.95 |
| Smiles | n1cnc(N[C@H](CO)Cc2ccccc2)c2c1sc1c2CCN(C1)C(=O)/C=C/CN(C)C |
| InChI | 1S/C24H29N5O2S/c1-28(2)11-6-9-21(31)29-12-10-19-20(14-29)32-24-22(19)23(25-16-26-24)27-18(15-30)13-1
7-7-4-3-5-8-17/h3-9,16,18,30H,10-15H2,1-2H3,(H,25,26,27)/b9-6+/t18-/m0/s1 |
| InChIKey | LKPVIEQHHLAMNE-YOCVDRLZSA-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 |
49788492
|
| Drug Bank Link | - |
| ChemSpider Link | 26362543 |
| ChEMBL Link | CHEMBL1271618 |
