| General Property |
| Molceule ID (DB) | EGIN0004923 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | BI37781 |
| IUPAC Name | N-[(4R,4aR)-4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]-4,4a-dihydroquinazolin-6-yl]-4-(dimethylamino)butanamide |
| Formula | C24H29ClFN5O3 |
| Mass | 489.97 |
| Exact Mass | 489.1942957 |
| Composition | C (58.83%), H (5.97%), Cl (7.24%), F (3.88%), N (14.29%), O (9.8%) |
| Atom Count | 63 |
| PI | 11.35 |
| Smiles | [C@@H]12[C@@H](N=CN=C1C=C(C(=C2)NC(=O)CCCN(C)C)O[C@H]1CCOC1)Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C24H29ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15
-5-6-19(26)18(25)10-15/h5-6,10-12,14,16-17,24,29H,3-4,7-9,13H2,1-2H3,(H,30,32)/t16-,17-,24-/m0/s1 |
| InChIKey | TXBQPJWNZLQXOL-UAVUOLJFSA-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 | 22888144 |
| 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 | - |
