| General Property |
| Molceule ID (DB) | EGIN0004570 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 2b |
| IUPAC Name | N-(3-{[5-(quinolin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C24H17N5O2 |
| Mass | 407.4241 |
| Exact Mass | 407.1382248 |
| Composition | C (70.75%), H (4.21%), N (17.19%), O (7.85%) |
| Atom Count | 48 |
| PI | 8.21 |
| Smiles | c1(cccc(c1)Oc1ncnc2c1c(c[nH]2)c1cc2c(nc1)cccc2)NC(=O)C=C |
| InChI | 1S/C24H17N5O2/c1-2-21(30)29-17-7-5-8-18(11-17)31-24-22-19(13-26-23(22)27-14-28-24)16-10-15-6-3-4-9-2
0(15)25-12-16/h2-14H,1H2,(H,29,30)(H,26,27,28) |
| InChIKey | DUIUREGYTDJMJK-UHFFFAOYSA-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 | 21208802 |
| 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 |
42601359
|
| Drug Bank Link | - |
| ChemSpider Link | 26381108 |
| ChEMBL Link | CHEMBL1643965 |
