General Property |
Molceule ID (DB) | EGIN0004943 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 22b |
IUPAC Name | N-(2H-1,3-benzodioxol-5-yl)-6-methylquinazolin-4-amine |
Formula | C16H13N3O2 |
Mass | 279.2933 |
Exact Mass | 279.1007767 |
Composition | C (68.81%), H (4.69%), N (15.05%), O (11.46%) |
Atom Count | 34 |
PI | 10.18 |
Smiles | c12cc(ccc1ncnc2Nc1cc2c(cc1)OCO2)C |
InChI | 1S/C16H13N3O2/c1-10-2-4-13-12(6-10)16(18-8-17-13)19-11-3-5-14-15(7-11)21-9-20-14/h2-8H,9H2,1H3,(H,17
,18,19) |
InChIKey | CZJCSUFPUYPACT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004943.png) | Structure Backbone | ![](./frame/f_EGIN0004943.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 |
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 |
5328823
|
Drug Bank Link | - |
ChemSpider Link | 4485985 |
ChEMBL Link | - |