| General Property |
| Molceule ID (DB) | EGIN0003238 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5e compound |
| IUPAC Name | methyl 2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}acetate |
| Formula | C21H25N5O3 |
| Mass | 395.4549 |
| Exact Mass | 395.1957397 |
| Composition | C (63.78%), H (6.37%), N (17.71%), O (12.14%) |
| Atom Count | 54 |
| PI | No isoelectric point. |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)OC)c1cc(ccc1)OC |
| InChI | 1S/C21H25N5O3/c1-28-16-5-3-4-14(10-16)17-11-26(21-19(17)20(22)23-13-24-21)15-6-8-25(9-7-15)12-18(27)
29-2/h3-5,10-11,13,15H,6-9,12H2,1-2H3,(H2,22,23,24) |
| InChIKey | IQMVMHITWPJRIL-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 | 11277536 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | v-Abl | c-Src | ALL |
| Pub Chem Link |
44381571
|
| Drug Bank Link | - |
| ChemSpider Link | 23239097 |
| ChEMBL Link | CHEMBL169065 |
