General Property |
Molceule ID (DB) | EGIN0004110 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | 8-acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile |
Formula | C22H16ClFN6O |
Mass | 434.853 |
Exact Mass | 434.1058151 |
Composition | C (60.76%), H (3.71%), Cl (8.15%), F (4.37%), N (19.33%), O (3.68%) |
Atom Count | 47 |
PI | 9.57 |
Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)C(=O)C)NCc1c[nH]cn1 |
InChI | 1S/C22H16ClFN6O/c1-12(31)17-4-15(27-10-16-9-26-11-29-16)5-18-21(13(7-25)8-28-22(17)18)30-14-2-3-20(2
4)19(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,26,29)(H,28,30) |
InChIKey | FYBDFTOKGKWXLM-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 | 17715908 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Tpl10 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23288998 |
ChEMBL Link | CHEMBL397949 |