| General Property |
| Molceule ID (DB) | EGIN0004020 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6g compound |
| IUPAC Name | 7-[(2S)-butan-2-yloxy]-6-ethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
| Formula | C24H26N4O2S |
| Mass | 434.554 |
| Exact Mass | 434.1776468 |
| Composition | C (66.33%), H (6.03%), N (12.89%), O (7.36%), S (7.38%) |
| Atom Count | 57 |
| PI | 10.29 |
| Smiles | c12c(ncnc1cc(c(c2)OCC)O[C@@H](C)CC)Nc1cc(c2csc(n2)C)ccc1 |
| InChI | 1S/C24H26N4O2S/c1-5-15(3)30-23-12-20-19(11-22(23)29-6-2)24(26-14-25-20)28-18-9-7-8-17(10-18)21-13-31
-16(4)27-21/h7-15H,5-6H2,1-4H3,(H,25,26,28)/t15-/m0/s1 |
| InChIKey | ZGSXAAZKOFHBII-HNNXBMFYSA-N |
| 2D Structure |  | Structure Backbone |  |
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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 | 12190310 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | F16BP | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
