| General Property |
| Molceule ID (DB) | EGIN0004430 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 6i |
| IUPAC Name | N-{3-chloro-4-[2-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C19H12ClF3N4O |
| Mass | 404.773 |
| Exact Mass | 404.0651733 |
| Composition | C (56.38%), H (2.99%), Cl (8.76%), F (14.08%), N (13.84%), O (3.95%) |
| Atom Count | 40 |
| PI | 9.61 |
| Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1c(cccc1)C(F)(F)F |
| InChI | 1S/C19H12ClF3N4O/c20-13-9-11(27-18-17-14(7-8-24-17)25-10-26-18)5-6-16(13)28-15-4-2-1-3-12(15)19(21,2
2)23/h1-10,24H,(H,25,26,27) |
| InChIKey | LVNYQEFSHJDOCT-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 |
56851588
|
| Drug Bank Link | - |
| ChemSpider Link | 28532215 |
| ChEMBL Link | CHEMBL1922904 |
