General Property |
Molceule ID (DB) | EGIN0003444 |
Inhibitor Class | Quinoline |
Molecule Name in Refrence Article | 2 compound |
IUPAC Name | 3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1-(2-fluorophenyl)urea |
Formula | C24H19F2N3O4 |
Mass | 451.4222 |
Exact Mass | 451.1343625 |
Composition | C (63.86%), H (4.24%), F (8.42%), N (9.31%), O (14.18%) |
Atom Count | 52 |
PI | 8.1 |
Smiles | c1(c(cc2c(c1)c(ccn2)Oc1ccc(cc1F)NC(=O)Nc1ccccc1F)OC)OC |
InChI | 1S/C24H19F2N3O4/c1-31-22-12-15-19(13-23(22)32-2)27-10-9-20(15)33-21-8-7-14(11-17(21)26)28-24(30)29-1
8-6-4-3-5-16(18)25/h3-13H,1-2H3,(H2,28,29,30) |
InChIKey | XIRQUSOSPFDYMI-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 | 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 |
44452544
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Drug Bank Link | - |
ChemSpider Link | 23319977 |
ChEMBL Link | CHEMBL259395 |