| General Property |
| Molceule ID (DB) | EGIN0001948 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 2h compound |
| IUPAC Name | [(2R)-4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-phenylbut-3-yn-2-yl]diethylamine |
| Formula | C25H29N3O2 |
| Mass | 403.5167 |
| Exact Mass | 403.2259772 |
| Composition | C (74.41%), H (7.24%), N (10.41%), O (7.93%) |
| Atom Count | 59 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@](C)(N(CC)CC)Cc1ccccc1)OC)OC |
| InChI | 1S/C25H29N3O2/c1-6-28(7-2)25(3,17-19-11-9-8-10-12-19)14-13-21-20-15-23(29-4)24(30-5)16-22(20)27-18-2
6-21/h8-12,15-16,18H,6-7,17H2,1-5H3/t25-/m0/s1 |
| InChIKey | BBMKJPDKBXILOP-VWLOTQADSA-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 | 23306761 |
| ChEMBL Link | CHEMBL429300 |
