| General Property |
| Molceule ID (DB) | EGIN0003242 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 5i compound |
| IUPAC Name | 2-[(2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}ethyl)(methyl)amino]ethan-1-ol |
| Formula | C23H32N6O2 |
| Mass | 424.5392 |
| Exact Mass | 424.2586743 |
| Composition | C (65.07%), H (7.6%), N (19.8%), O (7.54%) |
| Atom Count | 63 |
| PI | 12.54 |
| Smiles | n1cnc2c(c1N)c(cn2C1CCN(CC1)CCN(CCO)C)c1cc(ccc1)OC |
| InChI | 1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-2
6-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26) |
| InChIKey | FWVUUGWQEZWWHV-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 |
44381409
|
| Drug Bank Link | - |
| ChemSpider Link | 23238929 |
| ChEMBL Link | CHEMBL168661 |
