| General Property |
| Molceule ID (DB) | EGIN0003256 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1n compound |
| IUPAC Name | {3-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}methanol |
| Formula | C20H18N4O2 |
| Mass | 346.3825 |
| Exact Mass | 346.1429758 |
| Composition | C (69.35%), H (5.24%), N (16.17%), O (9.24%) |
| Atom Count | 44 |
| PI | 11.06 |
| Smiles | n1cnc2c(c1N)c(cn2c1cccc(c1)CO)c1cc(ccc1)OC |
| InChI | 1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-1
0,12,25H,11H2,1H3,(H2,21,22,23) |
| InChIKey | DHKJMXHLKKNTKJ-UHFFFAOYSA-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 | 10853665 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Kdr | CDC2 | v-Abl | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 18932096 |
| ChEMBL Link | CHEMBL176815 |
