General Property |
Molceule ID (DB) | EGIN0003078 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6e compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-(hex-5-yn-1-yloxy)-7-methoxyquinazolin-4-amine |
Formula | C21H19ClFN3O2 |
Mass | 399.846 |
Exact Mass | 399.1149828 |
Composition | C (63.08%), H (4.79%), Cl (8.87%), F (4.75%), N (10.51%), O (8%) |
Atom Count | 47 |
PI | 10.35 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCCC#C |
InChI | 1S/C21H19ClFN3O2/c1-3-4-5-6-9-28-20-11-15-18(12-19(20)27-2)24-13-25-21(15)26-14-7-8-17(23)16(22)10-1
4/h1,7-8,10-13H,4-6,9H2,2H3,(H,24,25,26) |
InChIKey | OEVCNTKKXWSHFC-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 | 19969465 |
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 |
46229769
|
Drug Bank Link | - |
ChemSpider Link | 24644712 |
ChEMBL Link | CHEMBL591039 |