| General Property |
| Molceule ID (DB) | EGIN0004439 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 6e |
| IUPAC Name | N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C18H12Cl2N4O |
| Mass | 371.22 |
| Exact Mass | 370.0388164 |
| Composition | C (58.24%), H (3.26%), Cl (19.1%), N (15.09%), O (4.31%) |
| Atom Count | 37 |
| PI | 9.61 |
| Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1cc(ccc1)Cl |
| InChI | 1S/C18H12Cl2N4O/c19-11-2-1-3-13(8-11)25-16-5-4-12(9-14(16)20)24-18-17-15(6-7-21-17)22-10-23-18/h1-10
,21H,(H,22,23,24) |
| InChIKey | OXAZPVDJCIJPFP-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 |
56851430
|
| Drug Bank Link | - |
| ChemSpider Link | 28481697 |
| ChEMBL Link | CHEMBL1921812 |
