General Property |
Molceule ID (DB) | EGIN0001518 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5b compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-ethynylquinazolin-4-amine |
Formula | C16H9ClFN3 |
Mass | 297.714 |
Exact Mass | 297.0469032 |
Composition | C (64.55%), H (3.05%), Cl (11.91%), F (6.38%), N (14.11%) |
Atom Count | 30 |
PI | 9.95 |
Smiles | c12c(ccc(c1)C#C)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C16H9ClFN3/c1-2-10-3-6-15-12(7-10)16(20-9-19-15)21-11-4-5-14(18)13(17)8-11/h1,3-9H,(H,19,20,21) |
InChIKey | QQMOCUDUISYUKW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001518.png) | Structure Backbone | ![](./frame/f_EGIN0001518.png) |
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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 |
22478429
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Drug Bank Link | - |
ChemSpider Link | 11411746 |
ChEMBL Link | CHEMBL249509 |