| General Property |
| Molceule ID (DB) | EGIN0003241 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5h compound |
| IUPAC Name | 2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}ethan-1-ol |
| Formula | C20H25N5O2 |
| Mass | 367.4448 |
| Exact Mass | 367.2008251 |
| Composition | C (65.37%), H (6.86%), N (19.06%), O (8.71%) |
| Atom Count | 52 |
| PI | 12.41 |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CCO)c1cc(ccc1)OC |
| InChI | 1S/C20H25N5O2/c1-27-16-4-2-3-14(11-16)17-12-25(20-18(17)19(21)22-13-23-20)15-5-7-24(8-6-15)9-10-26/h
2-4,11-13,15,26H,5-10H2,1H3,(H2,21,22,23) |
| InChIKey | OVTSFQUFYKJILE-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 | v-Abl | c-Src | ALL |
| Pub Chem Link |
18792941
|
| Drug Bank Link | - |
| ChemSpider Link | 13740996 |
| ChEMBL Link | CHEMBL169200 |
