| General Property |
| Molceule ID (DB) | EGIN0001767 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 7f (Racemate) |
| IUPAC Name | 4-[(2S)-2-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3-hydroxypropyl]phenol |
| Formula | C21H20N4O2 |
| Mass | 360.4091 |
| Exact Mass | 360.1586259 |
| Composition | C (69.98%), H (5.59%), N (15.55%), O (8.88%) |
| Atom Count | 47 |
| PI | 8.7 |
| Smiles | c12n(cc(c1c(ncn2)N)c1ccccc1)[C@@H](Cc1ccc(cc1)O)CO |
| InChI | 1S/C21H20N4O2/c22-20-19-18(15-4-2-1-3-5-15)11-25(21(19)24-13-23-20)16(12-26)10-14-6-8-17(27)9-7-14/h
1-9,11,13,16,26-27H,10,12H2,(H2,22,23,24)/t16-/m0/s1 |
| InChIKey | ATRMIGVAAPIRJO-INIZCTEOSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | EGFR | c-Src | v-Abl | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23238530 |
| ChEMBL Link | CHEMBL170438 |
