| General Property |
| Molceule ID (DB) | EGIN0003262 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1t compound |
| IUPAC Name | 2-[(2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}ethyl)(methyl)amino]ethan-1-ol |
| Formula | C24H27N5O2 |
| Mass | 417.5035 |
| Exact Mass | 417.2164751 |
| Composition | C (69.04%), H (6.52%), N (16.77%), O (7.66%) |
| Atom Count | 58 |
| PI | 12.32 |
| Smiles | n1cnc2c(c1N)c(cn2c1ccc(cc1)CCN(CCO)C)c1cc(ccc1)OC |
| InChI | 1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-2
7-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27) |
| InChIKey | DYVPNYHYZSMFSR-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 | 10853665 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Kdr | CDC2 | c-Src | v-Abl | ALL |
| Pub Chem Link |
44335197
|
| Drug Bank Link | - |
| ChemSpider Link | 23190414 |
| ChEMBL Link | CHEMBL105436 |
