| General Property |
| Molceule ID (DB) | EGIN0004870 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 3 |
| IUPAC Name | N-tert-butyl-3-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino}phenoxy)benzamide |
| Formula | C25H26ClN5O3 |
| Mass | 479.959 |
| Exact Mass | 479.1724174 |
| Composition | C (62.56%), H (5.46%), Cl (7.39%), N (14.59%), O (10%) |
| Atom Count | 60 |
| PI | 10.08 |
| Smiles | c1(c2n(ccc2ncn1)CCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(=O)NC(C)(C)C |
| InChI | 1S/C25H26ClN5O3/c1-25(2,3)30-24(33)16-5-4-6-18(13-16)34-21-8-7-17(14-19(21)26)29-23-22-20(27-15-28-2
3)9-10-31(22)11-12-32/h4-10,13-15,32H,11-12H2,1-3H3,(H,30,33)(H,27,28,29) |
| InChIKey | HYMYAHJTTZILBA-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 | 22439974 |
| 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 |
57496700
|
| Drug Bank Link | - |
| ChemSpider Link | 28505740 |
| ChEMBL Link | - |
