General Property |
Molceule ID (DB) | EGIN0001733 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 13 Compound |
IUPAC Name | N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(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 | 10.96 |
Smiles | c12c(cc(c(c1)OC1CCN(CC1)C)OC)ncnc2Nc1cccc(c1F)Cl |
InChI | 1S/C21H22ClFN4O2/c1-27-8-6-13(7-9-27)29-19-10-14-17(11-18(19)28-2)24-12-25-21(14)26-16-5-3-4-15(22)2
0(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26) |
InChIKey | PUGRPTFZBHHZPM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001733.png) | Structure Backbone | ![](./frame/f_EGIN0001733.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 | 16806916 |
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 |
10070557
|
Drug Bank Link | - |
ChemSpider Link | 8246097 |
ChEMBL Link | CHEMBL214798 |