General Property |
Molceule ID (DB) | EGIN0004733 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[2-(dimethylamino)ethoxy]-7-methoxyquinazolin-4-amine |
Formula | C19H20ClFN4O2 |
Mass | 390.839 |
Exact Mass | 390.1258818 |
Composition | C (58.39%), H (5.16%), Cl (9.07%), F (4.86%), N (14.34%), O (8.19%) |
Atom Count | 47 |
PI | 12.39 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCN(C)C |
InChI | 1S/C19H20ClFN4O2/c1-25(2)6-7-27-18-9-13-16(10-17(18)26-3)22-11-23-19(13)24-12-4-5-15(21)14(20)8-12/h
4-5,8-11H,6-7H2,1-3H3,(H,22,23,24) |
InChIKey | CBVZLUIKUXDQLU-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 | 11459659 |
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 |
19077501
|
Drug Bank Link | - |
ChemSpider Link | 13940731 |
ChEMBL Link | CHEMBL57759 |