| General Property |
| Molceule ID (DB) | EGIN0001947 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 2g compound |
| IUPAC Name | 1-[(2S)-4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-phenylbut-3-yn-2-yl]piperidine-4-carboxylic acid |
| Formula | C27H29N3O4 |
| Mass | 459.5369 |
| Exact Mass | 459.2158064 |
| Composition | C (70.57%), H (6.36%), N (9.14%), O (13.93%) |
| Atom Count | 63 |
| PI | 6.3 |
| Smiles | c1(c(cc2c(c1)c(ncn2)C#C[C@@](C)(N1CC[C@H](CC1)C(=O)O)Cc1ccccc1)OC)OC |
| InChI | 1S/C27H29N3O4/c1-27(17-19-7-5-4-6-8-19,30-13-10-20(11-14-30)26(31)32)12-9-22-21-15-24(33-2)25(34-3)1
6-23(21)29-18-28-22/h4-8,15-16,18,20H,10-11,13-14,17H2,1-3H3,(H,31,32)/t27-/m1/s1 |
| InChIKey | RDFKVDKCEUPXBU-HHHXNRCGSA-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 | 23306760 |
| ChEMBL Link | CHEMBL398959 |
