| General Property |
| Molceule ID (DB) | EGIN0003223 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4a compound |
| IUPAC Name | tert-butyl (3S)-3-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}pyrrolidine-1-carboxylate |
| Formula | C21H25N5O2 |
| Mass | 379.4555 |
| Exact Mass | 379.2008251 |
| Composition | C (66.47%), H (6.64%), N (18.46%), O (8.43%) |
| Atom Count | 53 |
| PI | No isoelectric point. |
| Smiles | c12n(cc(c1c(ncn2)N)c1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1 |
| InChI | 1S/C21H25N5O2/c1-21(2,3)28-20(27)25-10-9-15(11-25)26-12-16(14-7-5-4-6-8-14)17-18(22)23-13-24-19(17)2
6/h4-8,12-13,15H,9-11H2,1-3H3,(H2,22,23,24)/t15-/m0/s1 |
| InChIKey | CXIHOIXBRUXAHK-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 | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23238914 |
| ChEMBL Link | CHEMBL353823 |
