General Property |
Molceule ID (DB) | EGIN0004058 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | 6,7-diethoxy-N-[(4-fluorophenyl)methyl]quinazolin-4-amine |
Formula | C19H20FN3O2 |
Mass | 341.3794 |
Exact Mass | 341.1539551 |
Composition | C (66.85%), H (5.91%), F (5.57%), N (12.31%), O (9.37%) |
Atom Count | 45 |
PI | 12.3 |
Smiles | c1(c(cc2c(c1)c(ncn2)NCc1ccc(cc1)F)OCC)OCC |
InChI | 1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H
,3-4,11H2,1-2H3,(H,21,22,23) |
InChIKey | DEBQVAUIPWIBMA-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 |
11703562
|
Drug Bank Link | - |
ChemSpider Link | 9878285 |
ChEMBL Link | CHEMBL390283 |