| General Property |
| Molceule ID (DB) | EGIN0002436 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | N-[4-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide |
| Formula | C29H24N4O3 |
| Mass | 476.5259 |
| Exact Mass | 476.1848407 |
| Composition | C (73.09%), H (5.08%), N (11.76%), O (10.07%) |
| Atom Count | 60 |
| PI | 8.07 |
| Smiles | n1cnc(c2c1oc(c2c1ccc(cc1)NC(=O)C=C)c1ccccc1)N[C@@H](c1ccccc1)CO |
| InChI | 1S/C29H24N4O3/c1-2-24(35)32-22-15-13-20(14-16-22)25-26-28(33-23(17-34)19-9-5-3-6-10-19)30-18-31-29(2
6)36-27(25)21-11-7-4-8-12-21/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1 |
| InChIKey | NKJLYFQDEGKIAY-HSZRJFAPSA-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 | 20550212 |
| 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 |
46854891
|
| Drug Bank Link | - |
| ChemSpider Link | 25038996 |
| ChEMBL Link | CHEMBL1172773 |
