General Property |
Molceule ID (DB) | EGIN0000289 |
Inhibitor Class | Quinoline |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | 3-(3-chlorophenyl)-5-hydroxy-7-methoxy-1-(2-phenylethyl)-1,4-dihydroquinolin-4-one |
Formula | C24H20ClNO3 |
Mass | 405.874 |
Exact Mass | 405.1131712 |
Composition | C (71.02%), H (4.97%), Cl (8.73%), N (3.45%), O (11.83%) |
Atom Count | 49 |
PI | 5.45 |
Smiles | c1c2c(c(cc1OC)O)c(=O)c(cn2CCc1ccccc1)c1cc(ccc1)Cl |
InChI | 1S/C24H20ClNO3/c1-29-19-13-21-23(22(27)14-19)24(28)20(17-8-5-9-18(25)12-17)15-26(21)11-10-16-6-3-2-4
-7-16/h2-9,12-15,27H,10-11H2,1H3 |
InChIKey | YEELQJLZRMCLAG-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 | 10090785 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | v-Abl | c-Src | PKC-R | ALL |
Pub Chem Link |
9978638
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Drug Bank Link | - |
ChemSpider Link | 8154230 |
ChEMBL Link | CHEMBL7810 |