| General Property |
| Molceule ID (DB) | EGIN0001769 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 7h (Racemate) |
| IUPAC Name | (2S)-2-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methoxyphenyl)propan-1-ol |
| Formula | C23H24N4O3 |
| Mass | 404.4617 |
| Exact Mass | 404.1848407 |
| Composition | C (68.3%), H (5.98%), N (13.85%), O (11.87%) |
| Atom Count | 54 |
| PI | 11.09 |
| Smiles | c12n(cc(c1c(ncn2)N)c1cc(OC)ccc1)[C@@H](Cc1ccc(cc1)OC)CO |
| InChI | 1S/C23H24N4O3/c1-29-18-8-6-15(7-9-18)10-17(13-28)27-12-20(16-4-3-5-19(11-16)30-2)21-22(24)25-14-26-2
3(21)27/h3-9,11-12,14,17,28H,10,13H2,1-2H3,(H2,24,25,26)/t17-/m0/s1 |
| InChIKey | ZOROFBCOYYIWNJ-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 | 23238553 |
| ChEMBL Link | CHEMBL168555 |
