| General Property |
| Molceule ID (DB) | EGIN0005168 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8z |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide |
| Formula | C25H28ClFN6O4 |
| Mass | 530.979 |
| Exact Mass | 530.184459326 |
| Composition | C (56.55%), H (5.32%), Cl (6.68%), F (3.58%), N (15.83%), O (12.05%) |
| Atom Count | 65 |
| PI | 9.21 |
| Smiles | [H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)N([H])C2=C([H])C3=C(N=C([H])N=C3C([H])=C2O[C@]2([H])C([H])([H])OC([H])([H])C2([H])[H])N([H])C2=C([H])C(Cl)=C(F)C([H])=C2[H])C([H])([H])C1([H])[H] |
| InChI | 1S/C25H28ClFN6O4/c26-19-11-16(1-2-20(19)27)30-24-18-12-22(31-25(35)33-6-4-32(5-7-33)8-9-34)23(13-21(
18)28-15-29-24)37-17-3-10-36-14-17/h1-2,11-13,15,17,34H,3-10,14H2,(H,31,35)(H,28,29,30)/t17-/m0/s1 |
| InChIKey | DRIKMVZVAZKQBE-KRWDZBQOSA-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 | 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 | - |
