| General Property |
| Molceule ID (DB) | EGIN0003228 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4i compound |
| IUPAC Name | tert-butyl (3S)-3-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate |
| Formula | C22H27N5O3 |
| Mass | 409.4815 |
| Exact Mass | 409.2113898 |
| Composition | C (64.53%), H (6.65%), N (17.1%), O (11.72%) |
| Atom Count | 57 |
| PI | No isoelectric point. |
| Smiles | c12n(cc(c1c(ncn2)N)c1cc(OC)ccc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1 |
| InChI | 1S/C22H27N5O3/c1-22(2,3)30-21(28)26-9-8-15(11-26)27-12-17(14-6-5-7-16(10-14)29-4)18-19(23)24-13-25-2
0(18)27/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H2,23,24,25)/t15-/m0/s1 |
| InChIKey | MVJIDURGJSOZKO-HNNXBMFYSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23239160 |
| ChEMBL Link | CHEMBL168656 |
