General Property |
Molceule ID (DB) | EGIN0004763 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 15 |
IUPAC Name | 3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile |
Formula | C17H14N4O2 |
Mass | 306.3187 |
Exact Mass | 306.1116757 |
Composition | C (66.66%), H (4.61%), N (18.29%), O (10.45%) |
Atom Count | 37 |
PI | 10.2 |
Smiles | COc1c(OC)cc2c(Nc3cccc(c3)C#N)ncnc2c1 |
InChI | 1S/C17H14N4O2/c1-22-15-7-13-14(8-16(15)23-2)19-10-20-17(13)21-12-5-3-4-11(6-12)9-18/h3-8,10H,1-2H3,(
H,19,20,21) |
InChIKey | DTUCHVRTWHBOKV-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 | 22867529 |
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 |
11312797
|
Drug Bank Link | - |
ChemSpider Link | 9487764 |
ChEMBL Link | - |