General Property |
Molceule ID (DB) | EGIN0000587 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-methoxy-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
Formula | C21H22ClFN4O2 |
Mass | 416.876 |
Exact Mass | 416.1415319 |
Composition | C (60.5%), H (5.32%), Cl (8.5%), F (4.56%), N (13.44%), O (7.68%) |
Atom Count | 51 |
PI | 11.95 |
Smiles | c12c(ccc(c1OC1CCN(CC1)C)OC)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C21H22ClFN4O2/c1-27-9-7-14(8-10-27)29-20-18(28-2)6-5-17-19(20)21(25-12-24-17)26-13-3-4-16(23)15(2
2)11-13/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,25,26) |
InChIKey | KLRDWNMMZDDJGS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000587.png) | Structure Backbone | ![](./frame/f_EGIN0000587.png) |
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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 | 16380259 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 23267860 |
ChEMBL Link | CHEMBL203936 |