| General Property |
| Molceule ID (DB) | EGIN0005170 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9b |
| IUPAC Name | (S,E)-Methyl-4-(3-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)ureido)but-2-enoate |
| Formula | C24H23ClFN5O5 |
| Mass | 515.921 |
| Exact Mass | 515.137174783 |
| Composition | C (55.87%), H (4.49%), Cl (6.87%), F (3.68%), N (13.57%), O (15.51%) |
| Atom Count | 59 |
| PI | 8.05 |
| Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])=C(/[H])C(=O)OC([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/C24H23ClFN5O5/c1-34-22(32)3-2-7-27-24(33)31-20-10-16-19(11-21(20)36-15-6-8-35-12-15)28-13-29-23(1
6)30-14-4-5-18(26)17(25)9-14/h2-5,9-11,13,15H,6-8,12H2,1H3,(H2,27,31,33)(H,28,29,30)/b3-2+/t15-/m0/s
1 |
| InChIKey | XZQRWZRFISEWFN-FAAWYNLUSA-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 | - |
