General Property |
Molceule ID (DB) | EGIN0001519 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5c compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-(2-phenylethynyl)quinazolin-4-amine |
Formula | C22H13ClFN3 |
Mass | 373.81 |
Exact Mass | 373.0782033 |
Composition | C (70.69%), H (3.51%), Cl (9.48%), F (5.08%), N (11.24%) |
Atom Count | 40 |
PI | 9.92 |
Smiles | c12c(ccc(c1)C#Cc1ccccc1)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C22H13ClFN3/c23-19-13-17(9-10-20(19)24)27-22-18-12-16(8-11-21(18)25-14-26-22)7-6-15-4-2-1-3-5-15/
h1-5,8-14H,(H,25,26,27) |
InChIKey | AFYKJRQINKZASH-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 | 17889528 |
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 |
44442129
|
Drug Bank Link | - |
ChemSpider Link | 23306706 |
ChEMBL Link | CHEMBL249511 |