| General Property |
| Molceule ID (DB) | EGIN0001768 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 7g (Racemate) |
| IUPAC Name | 3-{4-amino-7-[(2S)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}phenol |
| Formula | C22H22N4O3 |
| Mass | 390.4351 |
| Exact Mass | 390.1691906 |
| Composition | C (67.68%), H (5.68%), N (14.35%), O (12.29%) |
| Atom Count | 51 |
| PI | 8.49 |
| Smiles | c12n(cc(c1c(ncn2)N)c1cc(O)ccc1)[C@@H](Cc1ccc(cc1)OC)CO |
| InChI | 1S/C22H22N4O3/c1-29-18-7-5-14(6-8-18)9-16(12-27)26-11-19(15-3-2-4-17(28)10-15)20-21(23)24-13-25-22(2
0)26/h2-8,10-11,13,16,27-28H,9,12H2,1H3,(H2,23,24,25)/t16-/m0/s1 |
| InChIKey | RLICCWOKSVSSOF-INIZCTEOSA-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 | v-Abl | EGFR | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 8605912 |
| ChEMBL Link | CHEMBL169467 |
