| General Property |
| Molceule ID (DB) | EGIN0003234 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | methyl 2-{4-[4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}acetate |
| Formula | C20H23N5O3 |
| Mass | 381.4283 |
| Exact Mass | 381.1800896 |
| Composition | C (62.98%), H (6.08%), N (18.36%), O (12.58%) |
| Atom Count | 51 |
| PI | 8.67 |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)OC)c1cc(ccc1)O |
| InChI | 1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)2
5/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23) |
| InChIKey | HKBVCGJVIFGBEX-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 |
11740563
|
| Drug Bank Link | - |
| ChemSpider Link | 9915270 |
| ChEMBL Link | CHEMBL262276 |
