| General Property |
| Molceule ID (DB) | EGIN0003226 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 4g compound |
| IUPAC Name | tert-butyl (3S)-3-[4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate |
| Formula | C21H25N5O3 |
| Mass | 395.4549 |
| Exact Mass | 395.1957397 |
| Composition | C (63.78%), H (6.37%), N (17.71%), O (12.14%) |
| Atom Count | 54 |
| PI | 8.49 |
| Smiles | c12n(cc(c1c(ncn2)N)c1cc(O)ccc1)[C@@H]1CN(C(=O)OC(C)(C)C)CC1 |
| InChI | 1S/C21H25N5O3/c1-21(2,3)29-20(28)25-8-7-14(10-25)26-11-16(13-5-4-6-15(27)9-13)17-18(22)23-12-24-19(1
7)26/h4-6,9,11-12,14,27H,7-8,10H2,1-3H3,(H2,22,23,24)/t14-/m0/s1 |
| InChIKey | DDCRNOXQNBDLGB-AWEZNQCLSA-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 | 23239233 |
| ChEMBL Link | CHEMBL168921 |
