General Property |
Molceule ID (DB) | EGIN0001949 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 2i compound |
IUPAC Name | [(2S)-4-(6,7-dimethoxyquinazolin-4-yl)-2-phenylbut-3-yn-2-yl]diethylamine |
Formula | C24H27N3O2 |
Mass | 389.4901 |
Exact Mass | 389.2103271 |
Composition | C (74.01%), H (6.99%), N (10.79%), O (8.22%) |
Atom Count | 56 |
PI | No isoelectric point. |
Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@@](C)(N(CC)CC)c1ccccc1)OC)OC |
InChI | 1S/C24H27N3O2/c1-6-27(7-2)24(3,18-11-9-8-10-12-18)14-13-20-19-15-22(28-4)23(29-5)16-21(19)26-17-25-2
0/h8-12,15-17H,6-7H2,1-5H3/t24-/m1/s1 |
InChIKey | JISATZHCUTWAMQ-XMMPIXPASA-N |
2D Structure | ![](./image/EGIN0001949.png) | Structure Backbone | ![](./frame/f_EGIN0001949.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 | 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 | 23306762 |
ChEMBL Link | CHEMBL250725 |