| General Property |
| Molceule ID (DB) | EGIN0005151 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8i |
| IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(3-methoxypropyl)urea |
| Formula | C23H25ClFN5O4 |
| Mass | 489.927 |
| Exact Mass | 489.157910225 |
| Composition | C (56.39%), H (5.14%), Cl (7.24%), F (3.88%), N (14.29%), O (13.06%) |
| Atom Count | 59 |
| PI | 8.06 |
| Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])C([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/C23H25ClFN5O4/c1-32-7-2-6-26-23(31)30-20-10-16-19(11-21(20)34-15-5-8-33-12-15)27-13-28-22(16)29-1
4-3-4-18(25)17(24)9-14/h3-4,9-11,13,15H,2,5-8,12H2,1H3,(H2,26,30,31)(H,27,28,29)/t15-/m0/s1 |
| InChIKey | MFCUDKAWMIOPID-HNNXBMFYSA-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 | - |
