General Property |
Molceule ID (DB) | EGIN0004051 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10d compound |
IUPAC Name | 6,7-diethoxy-N-(3-iodophenyl)quinazolin-4-amine |
Formula | C18H18IN3O2 |
Mass | 435.2589 |
Exact Mass | 435.0443703 |
Composition | C (49.67%), H (4.17%), I (29.16%), N (9.65%), O (7.35%) |
Atom Count | 42 |
PI | 10.32 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(I)ccc1 |
InChI | 1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2
,1-2H3,(H,20,21,22) |
InChIKey | JFCHPYHJJFGZSB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004051.png) | Structure Backbone | ![](./frame/f_EGIN0004051.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 | 16279804 |
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 |
10048580
|
Drug Bank Link | - |
ChemSpider Link | 8224143 |
ChEMBL Link | CHEMBL65704 |