General Property |
Molceule ID (DB) | EGIN0004057 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 13 compound |
IUPAC Name | N-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dimethoxyquinazolin-4-amine |
Formula | C17H13F4N3O2 |
Mass | 367.2976 |
Exact Mass | 367.0943895 |
Composition | C (55.59%), H (3.57%), F (20.69%), N (11.44%), O (8.71%) |
Atom Count | 39 |
PI | 9.93 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(cc(c1)C(F)(F)F)F)OC)OC |
InChI | 1S/C17H13F4N3O2/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11/h3-8H
,1-2H3,(H,22,23,24) |
InChIKey | OADSFSCZBUDKTO-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 16279804 |
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 |
11538667
|
Drug Bank Link | - |
ChemSpider Link | 9713447 |
ChEMBL Link | CHEMBL223116 |