| General Property |
| Molceule ID (DB) | EGIN0001764 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 7c (Racemate) |
| IUPAC Name | (2S)-2-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3-phenylpropan-1-ol |
| Formula | C21H20N4O |
| Mass | 344.4097 |
| Exact Mass | 344.1637113 |
| Composition | C (73.23%), H (5.85%), N (16.27%), O (4.65%) |
| Atom Count | 46 |
| PI | 11.09 |
| Smiles | c12n(cc(c1c(ncn2)N)c1ccccc1)[C@@H](Cc1ccccc1)CO |
| InChI | 1S/C21H20N4O/c22-20-19-18(16-9-5-2-6-10-16)12-25(21(19)24-14-23-20)17(13-26)11-15-7-3-1-4-8-15/h1-10
,12,14,17,26H,11,13H2,(H2,22,23,24)/t17-/m0/s1 |
| InChIKey | XIBZQFWTFLOHJD-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 | v-Abl | EGFR | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23239025 |
| ChEMBL Link | CHEMBL171311 |
