General Property |
Molceule ID (DB) | EGIN0000736 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8a |
IUPAC Name | N-(3-iodophenyl)-6,7-dimethoxyquinazolin-4-amine |
Formula | C16H14IN3O2 |
Mass | 407.2057 |
Exact Mass | 407.0130701 |
Composition | C (47.19%), H (3.47%), I (31.16%), N (10.32%), O (7.86%) |
Atom Count | 36 |
PI | 10.34 |
Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)I |
InChI | 1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,
19,20) |
InChIKey | FGCLAQLIXMAIHT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000736.png) | Structure Backbone | ![](./frame/f_EGIN0000736.png) |
|
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 | 8879541 | 8568816 | 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 |
5328201
|
Drug Bank Link | - |
ChemSpider Link | 4485366 |
ChEMBL Link | CHEMBL96065 |