General Property |
Molceule ID (DB) | EGIN0001951 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 2k compound |
IUPAC Name | [(2R)-4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-(pyridin-4-yl)but-3-yn-2-yl]diethylamine |
Formula | C24H28N4O2 |
Mass | 404.5047 |
Exact Mass | 404.2212262 |
Composition | C (71.26%), H (6.98%), N (13.85%), O (7.91%) |
Atom Count | 58 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@](C)(N(CC)CC)Cc1ccncc1)OC)OC |
InChI | 1S/C24H28N4O2/c1-6-28(7-2)24(3,16-18-9-12-25-13-10-18)11-8-20-19-14-22(29-4)23(30-5)15-21(19)27-17-2
6-20/h9-10,12-15,17H,6-7,16H2,1-5H3/t24-/m0/s1 |
InChIKey | DGAQPFVWIZGGAT-DEOSSOPVSA-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 | 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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 23306764 |
ChEMBL Link | CHEMBL398960 |