General Property |
Molceule ID (DB) | EGIN0001732 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 Compound |
IUPAC Name | N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
Formula | C22H24ClFN4O2 |
Mass | 430.903 |
Exact Mass | 430.1571819 |
Composition | C (61.32%), H (5.61%), Cl (8.23%), F (4.41%), N (13%), O (7.43%) |
Atom Count | 54 |
PI | 11.36 |
Smiles | c12c(cc(c(c1)OCC1CCN(CC1)C)OC)ncnc2Nc1cccc(c1F)Cl |
InChI | 1S/C22H24ClFN4O2/c1-28-8-6-14(7-9-28)12-30-20-10-15-18(11-19(20)29-2)25-13-26-22(15)27-17-5-3-4-16(2
3)21(17)24/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,25,26,27) |
InChIKey | HIOMOLUQMPMYMG-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 | 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 |
10002824
|
Drug Bank Link | - |
ChemSpider Link | 8178404 |
ChEMBL Link | CHEMBL213874 |