| General Property |
| Molceule ID (DB) | EGIN0005145 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8c |
| IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(methylsulfonyl)ethyl)urea |
| Formula | C22H23ClFN5O5S |
| Mass | 523.965 |
| Exact Mass | 523.109245473 |
| Composition | C (50.43%), H (4.42%), Cl (6.77%), F (3.63%), N (13.37%), O (15.27%), S (6.12%) |
| Atom Count | 58 |
| PI | 8.06 |
| Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])[H])C1=C([H])C2=C(N=C([H])N=C2C([H])=C1O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C1=C([H])C(Cl)=C(F)C([H])=C1[H] |
| InChI | 1S/C22H23ClFN5O5S/c1-35(31,32)7-5-25-22(30)29-19-9-15-18(10-20(19)34-14-4-6-33-11-14)26-12-27-21(15)
28-13-2-3-17(24)16(23)8-13/h2-3,8-10,12,14H,4-7,11H2,1H3,(H2,25,29,30)(H,26,27,28)/t14-/m0/s1 |
| InChIKey | FSGGHFJAQJIEQT-AWEZNQCLSA-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 | 24183742 |
| 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 | - |
| ChEMBL Link | - |
