General Property |
Molceule ID (DB) | EGIN0004442 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 6d compound |
IUPAC Name | 4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]quinazoline-4,6-diamine |
Formula | C21H16ClFN4 |
Mass | 378.83 |
Exact Mass | 378.1047524 |
Composition | C (66.58%), H (4.26%), Cl (9.36%), F (5.02%), N (14.79%) |
Atom Count | 43 |
PI | 10.48 |
Smiles | n1cnc(c2c1ccc(c2)NCc1ccc(cc1)F)Nc1cc(ccc1)Cl |
InChI | 1S/C21H16ClFN4/c22-15-2-1-3-18(10-15)27-21-19-11-17(8-9-20(19)25-13-26-21)24-12-14-4-6-16(23)7-5-14/
h1-11,13,24H,12H2,(H,25,26,27) |
InChIKey | VGXWVXZEXJZFAC-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 | 22112541 |
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 |
57395420
|
Drug Bank Link | - |
ChemSpider Link | 28489352 |
ChEMBL Link | CHEMBL1928888 |