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 | ![](./image/EGIN0000774.png) | Structure Backbone | ![](./frame/f_EGIN0000774.png) |
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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 |