| General Property |
| Molceule ID (DB) | EGIN0003261 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1s compound |
| IUPAC Name | 2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}-N-(2-hydroxyethyl)acetamide |
| Formula | C23H23N5O3 |
| Mass | 417.4604 |
| Exact Mass | 417.1800896 |
| Composition | C (66.17%), H (5.55%), N (16.78%), O (11.5%) |
| Atom Count | 54 |
| PI | 11.16 |
| Smiles | n1cnc2c(c1N)c(cn2c1ccc(cc1)CC(=O)NCCO)c1cc(ccc1)OC |
| InChI | 1S/C23H23N5O3/c1-31-18-4-2-3-16(12-18)19-13-28(23-21(19)22(24)26-14-27-23)17-7-5-15(6-8-17)11-20(30)
25-9-10-29/h2-8,12-14,29H,9-11H2,1H3,(H,25,30)(H2,24,26,27) |
| InChIKey | FPPFXZVOJMZPIB-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 |
10432113
|
| Drug Bank Link | - |
| ChemSpider Link | 8607540 |
| ChEMBL Link | CHEMBL175409 |
