| General Property |
| Molceule ID (DB) | EGIN0005149 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8g |
| IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(piperidin-1-yl)ethyl)urea |
| Formula | C26H30ClFN6O3 |
| Mass | 529.006 |
| Exact Mass | 528.205194768 |
| Composition | C (59.03%), H (5.72%), Cl (6.7%), F (3.59%), N (15.89%), O (9.07%) |
| Atom Count | 67 |
| PI | 10.04 |
| Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([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/C26H30ClFN6O3/c27-20-12-17(4-5-21(20)28)32-25-19-13-23(33-26(35)29-7-10-34-8-2-1-3-9-34)24(14-22(
19)30-16-31-25)37-18-6-11-36-15-18/h4-5,12-14,16,18H,1-3,6-11,15H2,(H2,29,33,35)(H,30,31,32)/t18-/m0
/s1 |
| InChIKey | RLKFWXIKUUDQPW-SFHVURJKSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
