| General Property |
| Molceule ID (DB) | EGIN0005163 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8u |
| IUPAC Name | (S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4,4-difluoropiperidine-1-carboxamide |
| Formula | C24H23ClF3N5O3 |
| Mass | 521.919 |
| Exact Mass | 521.144151949 |
| Composition | C (55.23%), H (4.44%), Cl (6.79%), F (10.92%), N (13.42%), O (9.2%) |
| Atom Count | 59 |
| PI | 8.01 |
| Smiles | [H]N(C(=O)N1C([H])([H])C([H])([H])C(F)(F)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/C24H23ClF3N5O3/c25-17-9-14(1-2-18(17)26)31-22-16-10-20(32-23(34)33-6-4-24(27,28)5-7-33)21(11-19(1
6)29-13-30-22)36-15-3-8-35-12-15/h1-2,9-11,13,15H,3-8,12H2,(H,32,34)(H,29,30,31)/t15-/m0/s1 |
| InChIKey | UBCHJGBQSIFFHH-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 | - |
