| General Property |
| Molceule ID (DB) | EGIN0002503 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | R-24 compound |
| IUPAC Name | (2E)-4-(dimethylamino)-1-(3-{[(1R)-1-phenylethyl]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 | C23H27N5OS |
| Mass | 421.558 |
| Exact Mass | 421.1936312 |
| Composition | C (65.53%), H (6.46%), N (16.61%), O (3.8%), S (7.61%) |
| Atom Count | 57 |
| PI | 12.96 |
| Smiles | n1cnc(N[C@H](C)c2ccccc2)c2c1sc1c2CCN(C1)C(=O)/C=C/CN(C)C |
| InChI | 1S/C23H27N5OS/c1-16(17-8-5-4-6-9-17)26-22-21-18-11-13-28(20(29)10-7-12-27(2)3)14-19(18)30-23(21)25-1
5-24-22/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)/b10-7+/t16-/m1/s1 |
| InChIKey | BVGZQNBERZRYJK-OJXHRBAXSA-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 |
49788490
|
| Drug Bank Link | - |
| ChemSpider Link | 26363794 |
| ChEMBL Link | CHEMBL1271561 |
