| General Property |
| Molceule ID (DB) | EGIN0003237 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5d compound |
| IUPAC Name | 3-{4-amino-7-[1-(2-hydroxyethyl)piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenol |
| Formula | C19H23N5O2 |
| Mass | 353.4182 |
| Exact Mass | 353.185175 |
| Composition | C (64.57%), H (6.56%), N (19.82%), O (9.05%) |
| Atom Count | 49 |
| PI | 9.43 |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CCO)c1cc(ccc1)O |
| InChI | 1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3
,10-12,14,25-26H,4-9H2,(H2,20,21,22) |
| InChIKey | WJSCDYSIDGEWEB-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 |
18792861
|
| Drug Bank Link | - |
| ChemSpider Link | 13740913 |
| ChEMBL Link | CHEMBL169780 |
