| General Property |
| Molceule ID (DB) | EGIN0001766 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 7e (Racemate) |
| IUPAC Name | (2S)-2-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3-(4-methoxyphenyl)propan-1-ol |
| Formula | C22H22N4O2 |
| Mass | 374.4357 |
| Exact Mass | 374.174276 |
| Composition | C (70.57%), H (5.92%), N (14.96%), O (8.55%) |
| Atom Count | 50 |
| PI | 11.09 |
| Smiles | c12n(cc(c1c(ncn2)N)c1ccccc1)[C@@H](Cc1ccc(cc1)OC)CO |
| InChI | 1S/C22H22N4O2/c1-28-18-9-7-15(8-10-18)11-17(13-27)26-12-19(16-5-3-2-4-6-16)20-21(23)24-14-25-22(20)2
6/h2-10,12,14,17,27H,11,13H2,1H3,(H2,23,24,25)/t17-/m0/s1 |
| InChIKey | CTAZKUKBHBXUFJ-KRWDZBQOSA-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 | 11277535 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src | v-Abl | EGFR | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23239024 |
| ChEMBL Link | CHEMBL171256 |
