| General Property |
| Molceule ID (DB) | EGIN0003249 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1f compound |
| IUPAC Name | 5-(3-chlorophenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C18H13ClN4 |
| Mass | 320.776 |
| Exact Mass | 320.0828741 |
| Composition | C (67.4%), H (4.08%), Cl (11.05%), N (17.47%) |
| Atom Count | 36 |
| PI | No isoelectric point. |
| Smiles | n1cnc2c(c1N)c(cn2c1ccccc1)c1cc(ccc1)Cl |
| InChI | 1S/C18H13ClN4/c19-13-6-4-5-12(9-13)15-10-23(14-7-2-1-3-8-14)18-16(15)17(20)21-11-22-18/h1-11H,(H2,20
,21,22) |
| InChIKey | KKYWVNPRFIJNKB-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 | CDC2 | Kdr | c-Src | v-Abl | ALL |
| Pub Chem Link |
44385080
|
| Drug Bank Link | - |
| ChemSpider Link | 18932075 |
| ChEMBL Link | CHEMBL176309 |
