General Property |
Molceule ID (DB) | EGIN0003070 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6a compound |
IUPAC Name | N-(3-chlorophenyl)-7-methoxy-6-(prop-2-yn-1-yloxy)quinazolin-4-amine |
Formula | C18H14ClN3O2 |
Mass | 339.776 |
Exact Mass | 339.0774544 |
Composition | C (63.63%), H (4.15%), Cl (10.43%), N (12.37%), O (9.42%) |
Atom Count | 38 |
PI | 10.25 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)OC)OCC#C |
InChI | 1S/C18H14ClN3O2/c1-3-7-24-17-9-14-15(10-16(17)23-2)20-11-21-18(14)22-13-6-4-5-12(19)8-13/h1,4-6,8-11
H,7H2,2H3,(H,20,21,22) |
InChIKey | WBACAQZZINXVMK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003070.png) | Structure Backbone | ![](./frame/f_EGIN0003070.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 | 19969465 |
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 |
46230527
|
Drug Bank Link | - |
ChemSpider Link | 24649902 |
ChEMBL Link | CHEMBL597948 |