| General Property |
| Molceule ID (DB) | EGIN0003239 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5f compound |
| IUPAC Name | 2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}acetamide |
| Formula | C20H24N6O2 |
| Mass | 380.4436 |
| Exact Mass | 380.196074 |
| Composition | C (63.14%), H (6.36%), N (22.09%), O (8.41%) |
| Atom Count | 52 |
| PI | 12.04 |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)N)c1cc(ccc1)OC |
| InChI | 1S/C20H24N6O2/c1-28-15-4-2-3-13(9-15)16-10-26(20-18(16)19(22)23-12-24-20)14-5-7-25(8-6-14)11-17(21)2
7/h2-4,9-10,12,14H,5-8,11H2,1H3,(H2,21,27)(H2,22,23,24) |
| InChIKey | ZWOJEBVNAWIFMO-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 |
15858665
|
| Drug Bank Link | - |
| ChemSpider Link | 13740946 |
| ChEMBL Link | CHEMBL169064 |
