| General Property |
| Molceule ID (DB) | EGIN0005152 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8j |
| IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(3,3-dimethoxypropyl)urea |
| Formula | C24H27ClFN5O5 |
| Mass | 519.953 |
| Exact Mass | 519.168474911 |
| Composition | C (55.44%), H (5.23%), Cl (6.82%), F (3.65%), N (13.47%), O (15.39%) |
| Atom Count | 63 |
| PI | 8.06 |
| Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])C([H])(OC([H])([H])[H])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/C24H27ClFN5O5/c1-33-22(34-2)5-7-27-24(32)31-20-10-16-19(11-21(20)36-15-6-8-35-12-15)28-13-29-23(1
6)30-14-3-4-18(26)17(25)9-14/h3-4,9-11,13,15,22H,5-8,12H2,1-2H3,(H2,27,31,32)(H,28,29,30)/t15-/m0/s1 |
| InChIKey | AGEKYFHTUYMNNG-HNNXBMFYSA-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 | 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 | - |
