| General Property |
| Molceule ID (DB) | EGIN0002504 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | R-25 compound |
| IUPAC Name | (2E)-4-(dimethylamino)-1-(3-{[(1R)-1-phenylpropyl]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 | C24H29N5OS |
| Mass | 435.585 |
| Exact Mass | 435.2092813 |
| Composition | C (66.18%), H (6.71%), N (16.08%), O (3.67%), S (7.36%) |
| Atom Count | 60 |
| PI | 12.88 |
| Smiles | n1cnc(N[C@H](CC)c2ccccc2)c2c1sc1c2CCN(C1)C(=O)/C=C/CN(C)C |
| InChI | 1S/C24H29N5OS/c1-4-19(17-9-6-5-7-10-17)27-23-22-18-12-14-29(21(30)11-8-13-28(2)3)15-20(18)31-24(22)2
6-16-25-23/h5-11,16,19H,4,12-15H2,1-3H3,(H,25,26,27)/b11-8+/t19-/m1/s1 |
| InChIKey | KYAUUVJZDKYWSC-UFUQCMIWSA-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 |
49788491
|
| Drug Bank Link | - |
| ChemSpider Link | 26361585 |
| ChEMBL Link | CHEMBL1271562 |
