| General Property |
| Molceule ID (DB) | EGIN0005161 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8s |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-methylpiperazine-1-carboxamide |
| Formula | C24H26ClFN6O3 |
| Mass | 500.953 |
| Exact Mass | 500.17389464 |
| Composition | C (57.54%), H (5.23%), Cl (7.08%), F (3.79%), N (16.78%), O (9.58%) |
| Atom Count | 61 |
| PI | 9.3 |
| Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([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/C24H26ClFN6O3/c1-31-5-7-32(8-6-31)24(33)30-21-11-17-20(12-22(21)35-16-4-9-34-13-16)27-14-28-23(17
)29-15-2-3-19(26)18(25)10-15/h2-3,10-12,14,16H,4-9,13H2,1H3,(H,30,33)(H,27,28,29)/t16-/m0/s1 |
| InChIKey | MLQHINYGKQJJHD-INIZCTEOSA-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 | - |
