| General Property |
| Molceule ID (DB) | EGIN0001950 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 2j compound |
| IUPAC Name | [(3R)-1-(6,7-dimethoxyquinazolin-4-yl)-3-methyl-5-phenylpent-1-yn-3-yl]diethylamine |
| Formula | C26H31N3O2 |
| Mass | 417.5432 |
| Exact Mass | 417.2416273 |
| Composition | C (74.79%), H (7.48%), N (10.06%), O (7.66%) |
| Atom Count | 62 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@](C)(N(CC)CC)CCc1ccccc1)OC)OC |
| InChI | 1S/C26H31N3O2/c1-6-29(7-2)26(3,15-13-20-11-9-8-10-12-20)16-14-22-21-17-24(30-4)25(31-5)18-23(21)28-1
9-27-22/h8-12,17-19H,6-7,13,15H2,1-5H3/t26-/m1/s1 |
| InChIKey | SDPZPDJPVLTMKD-AREMUKBSSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23306763 |
| ChEMBL Link | CHEMBL250726 |
