| General Property |
| Molceule ID (DB) | EGIN0005150 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8h |
| IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-morpholinoethyl)urea |
| Formula | C25H28ClFN6O4 |
| Mass | 530.979 |
| Exact Mass | 530.184459326 |
| Composition | C (56.55%), H (5.32%), Cl (6.68%), F (3.58%), N (15.83%), O (12.05%) |
| Atom Count | 65 |
| PI | 8.95 |
| Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([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/C25H28ClFN6O4/c26-19-11-16(1-2-20(19)27)31-24-18-12-22(32-25(34)28-4-5-33-6-9-35-10-7-33)23(13-21
(18)29-15-30-24)37-17-3-8-36-14-17/h1-2,11-13,15,17H,3-10,14H2,(H2,28,32,34)(H,29,30,31)/t17-/m0/s1 |
| InChIKey | BZRTYTTZHHRCLU-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 | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
