| General Property |
| Molceule ID (DB) | EGIN0004445 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 6b |
| IUPAC Name | N-[3-chloro-4-(2-fluorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C18H12ClFN4O |
| Mass | 354.765 |
| Exact Mass | 354.0683669 |
| Composition | C (60.94%), H (3.41%), Cl (9.99%), F (5.36%), N (15.79%), O (4.51%) |
| Atom Count | 37 |
| PI | 9.61 |
| Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1c(cccc1)F |
| InChI | 1S/C18H12ClFN4O/c19-12-9-11(24-18-17-14(7-8-21-17)22-10-23-18)5-6-15(12)25-16-4-2-1-3-13(16)20/h1-10
,21H,(H,22,23,24) |
| InChIKey | XWHJPZMQYNMSOJ-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 | 22003817 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
56851427
|
| Drug Bank Link | - |
| ChemSpider Link | 28482816 |
| ChEMBL Link | CHEMBL1922898 |
