| General Property |
| Molceule ID (DB) | EGIN0005157 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8o |
| IUPAC Name | (S)-3-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-1-(3-(dimethylamino)propyl)-1-methylurea |
| Formula | C25H30ClFN6O3 |
| Mass | 516.996 |
| Exact Mass | 516.205194768 |
| Composition | C (58.08%), H (5.85%), Cl (6.86%), F (3.67%), N (16.26%), O (9.28%) |
| Atom Count | 66 |
| PI | 10.48 |
| Smiles | [H]N(C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([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/C25H30ClFN6O3/c1-32(2)8-4-9-33(3)25(34)31-22-12-18-21(13-23(22)36-17-7-10-35-14-17)28-15-29-24(18
)30-16-5-6-20(27)19(26)11-16/h5-6,11-13,15,17H,4,7-10,14H2,1-3H3,(H,31,34)(H,28,29,30)/t17-/m0/s1 |
| InChIKey | CUIOOITULADHNM-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
