General Property |
Molceule ID (DB) | EGIN0001879 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)(propyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
Formula | C32H32ClFN4O4S |
Mass | 623.137 |
Exact Mass | 622.1816821 |
Composition | C (61.68%), H (5.18%), Cl (5.69%), F (3.05%), N (8.99%), O (10.27%), S (5.15%) |
Atom Count | 75 |
PI | 11.43 |
Smiles | C(N(CCS(=O)(=O)C)CCC)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
InChI | 1S/C32H32ClFN4O4S/c1-3-13-38(14-15-43(2,39)40)19-26-9-12-30(42-26)23-7-10-29-27(17-23)32(36-21-35-29
)37-25-8-11-31(28(33)18-25)41-20-22-5-4-6-24(34)16-22/h4-12,16-18,21H,3,13-15,19-20H2,1-2H3,(H,35,36
,37) |
InChIKey | LOWIJALPIWAMBK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001879.png) | Structure Backbone | ![](./frame/f_EGIN0001879.png) |
|
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 | 16777410 |
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 |
9960734
|
Drug Bank Link | - |
ChemSpider Link | 8136341 |
ChEMBL Link | CHEMBL212251 |