| General Property |
| Molceule ID (DB) | EGIN0004434 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 6g |
| IUPAC Name | 3-[2-chloro-4-({5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]benzonitrile |
| Formula | C19H12ClN5O |
| Mass | 361.784 |
| Exact Mass | 361.0730377 |
| Composition | C (63.08%), H (3.34%), Cl (9.8%), N (19.36%), O (4.42%) |
| Atom Count | 38 |
| PI | 9.61 |
| Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1cc(ccc1)C#N |
| InChI | 1S/C19H12ClN5O/c20-15-9-13(25-19-18-16(6-7-22-18)23-11-24-19)4-5-17(15)26-14-3-1-2-12(8-14)10-21/h1-
9,11,22H,(H,23,24,25) |
| InChIKey | JEQABWAFHZXXLZ-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 |
56851432
|
| Drug Bank Link | - |
| ChemSpider Link | 28481699 |
| ChEMBL Link | CHEMBL1922902 |
