| General Property |
| Molceule ID (DB) | EGIN0002429 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 6-[(2,4-dichlorophenyl)methyl]-4-N-[4-(propan-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C22H21Cl2N5 |
| Mass | 426.342 |
| Exact Mass | 425.1174011 |
| Composition | C (61.98%), H (4.96%), Cl (16.63%), N (16.43%) |
| Atom Count | 50 |
| PI | 10.24 |
| Smiles | c1(nc2c(c(n1)Nc1ccc(cc1)C(C)C)cc([nH]2)Cc1ccc(cc1Cl)Cl)N |
| InChI | 1S/C22H21Cl2N5/c1-12(2)13-4-7-16(8-5-13)26-20-18-11-17(27-21(18)29-22(25)28-20)9-14-3-6-15(23)10-19(
14)24/h3-8,10-12H,9H2,1-2H3,(H4,25,26,27,28,29) |
| InChIKey | OYHNIEXIHBTFGE-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 | VEGFR2 | VEGFR1 | PDGFR beta | ALL |
| Pub Chem Link |
46887038
|
| Drug Bank Link | - |
| ChemSpider Link | 24670824 |
| ChEMBL Link | CHEMBL1095463 |
