| General Property |
| Molceule ID (DB) | EGIN0003235 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5b compound |
| IUPAC Name | 2-{4-[4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}acetamide |
| Formula | C19H22N6O2 |
| Mass | 366.417 |
| Exact Mass | 366.180424 |
| Composition | C (62.28%), H (6.05%), N (22.94%), O (8.73%) |
| Atom Count | 49 |
| PI | 8.87 |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)N)c1cc(ccc1)O |
| InChI | 1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h
1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23) |
| InChIKey | CHWHVQUNCYDPDK-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 |
15858664
|
| Drug Bank Link | - |
| ChemSpider Link | 13740993 |
| ChEMBL Link | CHEMBL263528 |
