General Property |
Molceule ID (DB) | EGIN0000862 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 25 compound |
IUPAC Name | 4-[(3-chloro-4-hydroxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile |
Formula | C18H14ClN3O3 |
Mass | 355.775 |
Exact Mass | 355.072369 |
Composition | C (60.77%), H (3.97%), Cl (9.97%), N (11.81%), O (13.49%) |
Atom Count | 39 |
PI | 6.46 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1ccc(c(c1)Cl)O)C#N |
InChI | 1S/C18H14ClN3O3/c1-24-16-6-12-14(7-17(16)25-2)21-9-10(8-20)18(12)22-11-3-4-15(23)13(19)5-11/h3-7,9,2
3H,1-2H3,(H,21,22) |
InChIKey | DUDXBCAIXIMAKI-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 | 10966743 |
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 |
5328857
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Drug Bank Link | - |
ChemSpider Link | 4486019 |
ChEMBL Link | CHEMBL110945 |