General Property |
Molceule ID (DB) | EGIN0000737 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 34 compound |
IUPAC Name | 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine |
Formula | C17H14F3N3O2 |
Mass | 349.3072 |
Exact Mass | 349.1038113 |
Composition | C (58.45%), H (4.04%), F (16.32%), N (12.03%), O (9.16%) |
Atom Count | 39 |
PI | 10.3 |
Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C(F)(F)F |
InChI | 1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-
2H3,(H,21,22,23) |
InChIKey | KEQCEKUDWPXRRQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000737.png) | Structure Backbone | ![](./frame/f_EGIN0000737.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 | 8568816 |
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 |
5328202
|
Drug Bank Link | - |
ChemSpider Link | 4485367 |
ChEMBL Link | CHEMBL316064 |