General Property |
Molceule ID (DB) | EGIN0001525 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5i compound |
IUPAC Name | 4-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}-2-methylbut-3-yn-2-ol |
Formula | C19H15ClFN3O |
Mass | 355.793 |
Exact Mass | 355.088768 |
Composition | C (64.14%), H (4.25%), Cl (9.96%), F (5.34%), N (11.81%), O (4.5%) |
Atom Count | 40 |
PI | 8.87 |
Smiles | c12c(ccc(c1)C#CC(O)(C)C)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C19H15ClFN3O/c1-19(2,25)8-7-12-3-6-17-14(9-12)18(23-11-22-17)24-13-4-5-16(21)15(20)10-13/h3-6,9-1
1,25H,1-2H3,(H,22,23,24) |
InChIKey | BRCXEKGENXSPDA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001525.png) | Structure Backbone | ![](./frame/f_EGIN0001525.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 |
44442146
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Drug Bank Link | - |
ChemSpider Link | 23306724 |
ChEMBL Link | CHEMBL251497 |