| General Property |
| Molceule ID (DB) | EGIN0003240 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5g compound |
| IUPAC Name | 2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}-N,N-dimethylacetamide |
| Formula | C22H28N6O2 |
| Mass | 408.4967 |
| Exact Mass | 408.2273742 |
| Composition | C (64.68%), H (6.91%), N (20.57%), O (7.83%) |
| Atom Count | 58 |
| PI | No isoelectric point. |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)N(C)C)c1cc(ccc1)OC |
| InChI | 1S/C22H28N6O2/c1-26(2)19(29)13-27-9-7-16(8-10-27)28-12-18(15-5-4-6-17(11-15)30-3)20-21(23)24-14-25-2
2(20)28/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H2,23,24,25) |
| InChIKey | TUXRFGDOGJUGFD-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 |
44381580
|
| Drug Bank Link | - |
| ChemSpider Link | 23239116 |
| ChEMBL Link | CHEMBL355269 |
