General Property |
Molceule ID (DB) | EGIN0004917 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 16 |
IUPAC Name | 6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine |
Formula | C17H14BrClFN3O2 |
Mass | 426.667 |
Exact Mass | 424.9941953 |
Composition | C (47.86%), H (3.31%), Br (18.73%), Cl (8.31%), F (4.45%), N (9.85%), O (7.5%) |
Atom Count | 39 |
PI | 10.35 |
Smiles | COc1c(OCCBr)cc2c(Nc3cc(Cl)c(F)cc3)ncnc2c1 |
InChI | 1S/C17H14BrClFN3O2/c1-24-15-8-14-11(7-16(15)25-5-4-18)17(22-9-21-14)23-10-2-3-13(20)12(19)6-10/h2-3,
6-9H,4-5H2,1H3,(H,21,22,23) |
InChIKey | KOBGVRFQJWPUFX-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 | 22867529 |
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 |
19077515
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |