General Property |
Molceule ID (DB) | EGIN0001946 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 2f compound |
IUPAC Name | (2S)-4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-phenylbut-3-yn-2-ol |
Formula | C21H20N2O3 |
Mass | 348.3951 |
Exact Mass | 348.1473925 |
Composition | C (72.4%), H (5.79%), N (8.04%), O (13.78%) |
Atom Count | 46 |
PI | 7.54 |
Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@@](C)(O)Cc1ccccc1)OC)OC |
InChI | 1S/C21H20N2O3/c1-21(24,13-15-7-5-4-6-8-15)10-9-17-16-11-19(25-2)20(26-3)12-18(16)23-14-22-17/h4-8,11
-12,14,24H,13H2,1-3H3/t21-/m1/s1 |
InChIKey | DCFLKULIIIPJPN-OAQYLSRUSA-N |
2D Structure | ![](./image/EGIN0001946.png) | Structure Backbone | ![](./frame/f_EGIN0001946.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 | 23306759 |
ChEMBL Link | CHEMBL250525 |