| General Property |
| Molceule ID (DB) | EGIN0000774 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-iodopyrimidin-4-amine |
| Formula | C17H12ClFIN3O |
| Mass | 455.653 |
| Exact Mass | 454.9697614 |
| Composition | C (44.81%), H (2.65%), Cl (7.78%), F (4.17%), I (27.85%), N (9.22%), O (3.51%) |
| Atom Count | 36 |
| PI | 9.41 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)I |
| InChI | 1S/C17H12ClFIN3O/c18-14-7-13(23-17-15(20)8-21-10-22-17)4-5-16(14)24-9-11-2-1-3-12(19)6-11/h1-8,10H,9
H2,(H,21,22,23) |
| InChIKey | AZNOTKRHXFPIJY-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 | 16483772 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 9560437 |
| ChEMBL Link | CHEMBL205652 |
