General Property |
Molceule ID (DB) | EGIN0001961 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 8p compound |
IUPAC Name | 6,7-diethoxy-4-{2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethynyl}quinazoline |
Formula | C23H19FN4O2 |
Mass | 402.421 |
Exact Mass | 402.1492041 |
Composition | C (68.65%), H (4.76%), F (4.72%), N (13.92%), O (7.95%) |
Atom Count | 49 |
PI | 8.52 |
Smiles | c1(c(cc2c(c1)c(ncn2)C#Cc1c[nH]nc1c1ccc(cc1)F)OCC)OCC |
InChI | 1S/C23H19FN4O2/c1-3-29-21-11-18-19(25-14-26-20(18)12-22(21)30-4-2)10-7-16-13-27-28-23(16)15-5-8-17(2
4)9-6-15/h5-6,8-9,11-14H,3-4H2,1-2H3,(H,27,28) |
InChIKey | AHECKEJZVOJBKG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001961.png) | Structure Backbone | ![](./frame/f_EGIN0001961.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 | 17869510 |
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 |
44442186
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Drug Bank Link | - |
ChemSpider Link | 23306774 |
ChEMBL Link | CHEMBL251125 |