| General Property |
| Molceule ID (DB) | EGIN0005148 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8f |
| IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(pyrrolidin-1-yl)ethyl)urea |
| Formula | C25H28ClFN6O3 |
| Mass | 514.98 |
| Exact Mass | 514.189544704 |
| Composition | C (58.31%), H (5.48%), Cl (6.88%), F (3.69%), N(16.32%), O (9.32%) |
| Atom Count | 64 |
| PI | 10.1 |
| Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([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/C25H28ClFN6O3/c26-19-11-16(3-4-20(19)27)31-24-18-12-22(32-25(34)28-6-9-33-7-1-2-8-33)23(13-21(18)
29-15-30-24)36-17-5-10-35-14-17/h3-4,11-13,15,17H,1-2,5-10,14H2,(H2,28,32,34)(H,29,30,31)/t17-/m0/s1 |
| InChIKey | NWCCWSWQAFETLG-KRWDZBQOSA-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 | RET | RON | ABL | Flt-1 | KDR | c-Kit | PDGFR-a | PDGFR-b | EPH-A2 | IGF1R | FGFR1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
