General Property |
Molceule ID (DB) | EGIN0001945 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 2e compound |
IUPAC Name | N-[4-(6,7-dimethoxyquinazolin-4-yl)-2-methylbut-3-yn-2-yl]-N-methylaniline |
Formula | C22H23N3O2 |
Mass | 361.4369 |
Exact Mass | 361.179027 |
Composition | C (73.11%), H (6.41%), N (11.63%), O (8.85%) |
Atom Count | 50 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)c(ncn2)C#CC(C)(C)N(c1ccccc1)C)OC)OC |
InChI | 1S/C22H23N3O2/c1-22(2,25(3)16-9-7-6-8-10-16)12-11-18-17-13-20(26-4)21(27-5)14-19(17)24-15-23-18/h6-1
0,13-15H,1-5H3 |
InChIKey | BQXIAZSINPRHQQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001945.png) | Structure Backbone | ![](./frame/f_EGIN0001945.png) |
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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 | 17869510 |
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 |
44442170
|
Drug Bank Link | - |
ChemSpider Link | 23306758 |
ChEMBL Link | CHEMBL250524 |