General Property |
Molceule ID (DB) | EGIN0002512 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7a compound |
IUPAC Name | N-(2-aminophenyl)-5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-carboxamide |
Formula | C32H23ClFN5O3 |
Mass | 580.008 |
Exact Mass | 579.1473455 |
Composition | C (66.27%), H (4%), Cl (6.11%), F (3.28%), N (12.07%), O (8.28%) |
Atom Count | 65 |
PI | 7.3 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(o1)C(=O)Nc1ccccc1N |
InChI | 1S/C32H23ClFN5O3/c33-24-16-22(9-11-29(24)41-17-19-4-3-5-21(34)14-19)38-31-23-15-20(8-10-26(23)36-18-
37-31)28-12-13-30(42-28)32(40)39-27-7-2-1-6-25(27)35/h1-16,18H,17,35H2,(H,39,40)(H,36,37,38) |
InChIKey | DWLVUAOJOFAURW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002512.png) | Structure Backbone | ![](./frame/f_EGIN0002512.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 | 21080629 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKA | InsR | CDK2 | PlK1 | PDGFR beta | Abl1 | ALL |
Pub Chem Link |
49855759
|
Drug Bank Link | - |
ChemSpider Link | 26376316 |
ChEMBL Link | CHEMBL1630111 |