| General Property |
| Molceule ID (DB) | EGIN0003243 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5k compound |
| IUPAC Name | 7-(1-{2-[(2-methoxyethyl)amino]ethyl}piperidin-4-yl)-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C23H32N6O2 |
| Mass | 424.5392 |
| Exact Mass | 424.2586743 |
| Composition | C (65.07%), H (7.6%), N (19.8%), O (7.54%) |
| Atom Count | 63 |
| PI | No isoelectric point. |
| Smiles | c12c(c(cn1C1CCN(CC1)CCNCCOC)c1cc(OC)ccc1)c(ncn2)N |
| InChI | 1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-2
7-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27) |
| InChIKey | UFLGKZDFVFEGCP-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 | c-Src | v-Abl | ALL |
| Pub Chem Link |
44381556
|
| Drug Bank Link | - |
| ChemSpider Link | 23239074 |
| ChEMBL Link | CHEMBL172514 |
