General Property |
Molceule ID (DB) | EGIN0001944 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 2d compound |
IUPAC Name | 4-(3-benzyl-3-methylbut-1-yn-1-yl)-6,7-dimethoxyquinazoline |
Formula | C22H22N2O2 |
Mass | 346.4223 |
Exact Mass | 346.168128 |
Composition | C (76.28%), H (6.4%), N (8.09%), O (9.24%) |
Atom Count | 48 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)c(ncn2)C#CC(C)(C)Cc1ccccc1)OC)OC |
InChI | 1S/C22H22N2O2/c1-22(2,14-16-8-6-5-7-9-16)11-10-18-17-12-20(25-3)21(26-4)13-19(17)24-15-23-18/h5-9,12
-13,15H,14H2,1-4H3 |
InChIKey | RVEDAUKOXMSMKQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001944.png) | Structure Backbone | ![](./frame/f_EGIN0001944.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 |
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Drug Bank Link | - |
ChemSpider Link | 23306757 |
ChEMBL Link | CHEMBL399953 |