General Property |
Molceule ID (DB) | EGIN0000221 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5f compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}prop-2-enamide |
Formula | C17H12ClFN4O |
Mass | 342.755 |
Exact Mass | 342.0683669 |
Composition | C (59.57%), H (3.53%), Cl (10.34%), F (5.54%), N (16.35%), O (4.67%) |
Atom Count | 36 |
PI | 9.18 |
Smiles | O=C(Nc1cc2c(cc1)ncnc2Nc1ccc(c(c1)Cl)F)C=C |
InChI | 1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(
H,22,24)(H,20,21,23) |
InChIKey | UIAARIUTYORWEV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000221.png) | Structure Backbone | ![](./frame/f_EGIN0000221.png) |
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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 | 10346932 | 10753475 | 10956451 | |
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 |
9974694
|
Drug Bank Link | - |
ChemSpider Link | 8150286 |
ChEMBL Link | CHEMBL31373 |