| General Property |
| Molceule ID (DB) | EGIN0004428 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 6k |
| IUPAC Name | N-{3-chloro-4-[2-(trifluoromethoxy)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C19H12ClF3N4O2 |
| Mass | 420.772 |
| Exact Mass | 420.060088 |
| Composition | C (54.23%), H (2.87%), Cl (8.43%), F (13.55%), N (13.32%), O (7.6%) |
| Atom Count | 41 |
| PI | 9.61 |
| Smiles | c1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1c(cccc1)OC(F)(F)F |
| InChI | 1S/C19H12ClF3N4O2/c20-12-9-11(27-18-17-13(7-8-24-17)25-10-26-18)5-6-14(12)28-15-3-1-2-4-16(15)29-19(
21,22)23/h1-10,24H,(H,25,26,27) |
| InChIKey | HCONVOOBXMEDII-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 |
56851590
|
| Drug Bank Link | - |
| ChemSpider Link | 28477797 |
| ChEMBL Link | CHEMBL1922906 |
