| General Property |
| Molceule ID (DB) | EGIN0005167 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8y |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(2-hydroxyethyl)piperidine-1-carboxamide |
| Formula | C26H29ClFN5O4 |
| Mass | 529.991 |
| Exact Mass | 529.189210353 |
| Composition | C (58.92%), H (5.52%), Cl (6.69%), F (3.58%), N (13.21%), O (12.08%) |
| Atom Count | 66 |
| PI | 8.01 |
| Smiles | [H]OC([H])([H])C([H])([H])C1([H])C([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/C26H29ClFN5O4/c27-20-11-17(1-2-21(20)28)31-25-19-12-23(32-26(35)33-7-3-16(4-8-33)5-9-34)24(13-22(
19)29-15-30-25)37-18-6-10-36-14-18/h1-2,11-13,15-16,18,34H,3-10,14H2,(H,32,35)(H,29,30,31)/t18-/m0/s
1 |
| InChIKey | XBFVMMZNHWICGA-SFHVURJKSA-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 | - |
