| General Property |
| Molceule ID (DB) | EGIN0003236 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | 2-{4-[4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}-N,N-dimethylacetamide |
| Formula | C21H26N6O2 |
| Mass | 394.4701 |
| Exact Mass | 394.2117241 |
| Composition | C (63.94%), H (6.64%), N (21.3%), O (8.11%) |
| Atom Count | 55 |
| PI | 8.99 |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)N(C)C)c1cc(ccc1)O |
| InChI | 1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(1
9)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24) |
| InChIKey | HUZDGCVNDDSQGA-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 |
18792868
|
| Drug Bank Link | - |
| ChemSpider Link | 13740922 |
| ChEMBL Link | CHEMBL169920 |
