General Property |
Molceule ID (DB) | EGIN0003445 |
Inhibitor Class | Quinoline |
Molecule Name in Refrence Article | 3 compound |
IUPAC Name | 1-(2,4-difluorophenyl)-3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}urea |
Formula | C24H18F3N3O4 |
Mass | 469.4126 |
Exact Mass | 469.1249407 |
Composition | C (61.41%), H (3.87%), F (12.14%), N (8.95%), O (13.63%) |
Atom Count | 52 |
PI | 8.14 |
Smiles | c12c(cc(c(c2)OC)OC)nccc1Oc1c(cc(NC(=O)Nc2c(cc(cc2)F)F)cc1)F |
InChI | 1S/C24H18F3N3O4/c1-32-22-11-15-19(12-23(22)33-2)28-8-7-20(15)34-21-6-4-14(10-17(21)27)29-24(31)30-18
-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31) |
InChIKey | NZYLXYBIWNIAGH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003445.png) | Structure Backbone | ![](./frame/f_EGIN0003445.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 | 18343125 |
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 |
11282791
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Drug Bank Link | - |
ChemSpider Link | 9457788 |
ChEMBL Link | CHEMBL179815 |