| General Property |
| Molceule ID (DB) | EGIN0003229 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4k compound |
| IUPAC Name | 5-(3-methoxyphenyl)-7-[(3S)-pyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C17H19N5O |
| Mass | 309.3657 |
| Exact Mass | 309.1589603 |
| Composition | C (66%), H (6.19%), N (22.64%), O (5.17%) |
| Atom Count | 42 |
| PI | No isoelectric point. |
| Smiles | c12c(c(cn1[C@H]1CCNC1)c1cc(OC)ccc1)c(ncn2)N |
| InChI | 1S/C17H19N5O/c1-23-13-4-2-3-11(7-13)14-9-22(12-5-6-19-8-12)17-15(14)16(18)20-10-21-17/h2-4,7,9-10,12
,19H,5-6,8H2,1H3,(H2,18,20,21)/t12-/m0/s1 |
| InChIKey | YZMSNPZCAJEYHF-LBPRGKRZSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23239159 |
| ChEMBL Link | CHEMBL169519 |
