General Property |
Molceule ID (DB) | EGIN0001532 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6f compound |
IUPAC Name | 5-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}pent-4-yn-1-ol |
Formula | C21H21N3O3 |
Mass | 363.4097 |
Exact Mass | 363.1582916 |
Composition | C (69.41%), H (5.82%), N (11.56%), O (13.21%) |
Atom Count | 48 |
PI | 10.25 |
Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C#CCCCO |
InChI | 1S/C21H21N3O3/c1-26-19-12-17-18(13-20(19)27-2)22-14-23-21(17)24-16-9-6-8-15(11-16)7-4-3-5-10-25/h6,8
-9,11-14,25H,3,5,10H2,1-2H3,(H,22,23,24) |
InChIKey | IOCMISOXJROINT-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | 17889528 |
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 |
44442154
|
Drug Bank Link | - |
ChemSpider Link | 23306734 |
ChEMBL Link | CHEMBL437197 |