| General Property |
| Molceule ID (DB) | EGIN0002427 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 6-[(2,4-dichlorophenyl)methyl]-4-N-(3-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C21H15Cl2N5 |
| Mass | 408.283 |
| Exact Mass | 407.0704509 |
| Composition | C (61.78%), H (3.7%), Cl (17.37%), N (17.15%) |
| Atom Count | 43 |
| PI | 10.23 |
| Smiles | c1(nc2c(c(n1)Nc1cc(ccc1)C#C)cc([nH]2)Cc1ccc(cc1Cl)Cl)N |
| InChI | 1S/C21H15Cl2N5/c1-2-12-4-3-5-15(8-12)25-19-17-11-16(26-20(17)28-21(24)27-19)9-13-6-7-14(22)10-18(13)
23/h1,3-8,10-11H,9H2,(H4,24,25,26,27,28) |
| InChIKey | ZCRINIKANCTMRT-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 | 20403700 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR beta | VEGFR1 | VEGFR2 | ALL |
| Pub Chem Link |
46886973
|
| Drug Bank Link | - |
| ChemSpider Link | 24670425 |
| ChEMBL Link | CHEMBL1094475 |
