General Property |
Molceule ID (DB) | EGIN0004858 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 1 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine |
Formula | C16H13ClFN3O2 |
Mass | 333.745 |
Exact Mass | 333.0680326 |
Composition | C (57.58%), H (3.93%), Cl (10.62%), F (5.69%), N (12.59%), O (9.59%) |
Atom Count | 36 |
PI | 10.36 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC |
InChI | 1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H
,19,20,21) |
InChIKey | VOPNWXZDJKCCRE-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 | 22867529 | 11459659 | |
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 | 4486171 |
ChEMBL Link | CHEMBL301018 |