| General Property |
| Molceule ID (DB) | EGIN0003232 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4n compound |
| IUPAC Name | methyl 2-[(3R)-3-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidin-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 | No isoelectric point. |
| Smiles | c12n(cc(c1c(ncn2)N)c1cc(OC)ccc1)[C@H]1CN(CC(=O)OC)CC1 |
| InChI | 1S/C20H23N5O3/c1-27-15-5-3-4-13(8-15)16-10-25(20-18(16)19(21)22-12-23-20)14-6-7-24(9-14)11-17(26)28-
2/h3-5,8,10,12,14H,6-7,9,11H2,1-2H3,(H2,21,22,23)/t14-/m1/s1 |
| InChIKey | IUHCHNLQYCBXNR-CQSZACIVSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23238673 |
| ChEMBL Link | CHEMBL355891 |
