General Property |
Molceule ID (DB) | EGIN0004568 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 2c |
IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carboxylic acid |
Formula | C18H14ClFN2O4 |
Mass | 376.766 |
Exact Mass | 376.0626129 |
Composition | C (57.38%), H (3.75%), Cl (9.41%), F (5.04%), N (7.44%), O (16.99%) |
Atom Count | 40 |
PI | 5.06 |
Smiles | c1c(c(cc2c1c(c(cn2)C(=O)O)Nc1cc(c(cc1)F)Cl)OC)OC |
InChI | 1S/C18H14ClFN2O4/c1-25-15-6-10-14(7-16(15)26-2)21-8-11(18(23)24)17(10)22-9-3-4-13(20)12(19)5-9/h3-8H
,1-2H3,(H,21,22)(H,23,24) |
InChIKey | AAVGHUCVRHUVEM-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 | 22309911 |
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 |
57400361
|
Drug Bank Link | - |
ChemSpider Link | 28431371 |
ChEMBL Link | CHEMBL1947123 |