General Property |
Molceule ID (DB) | EGIN0001881 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 24 compound |
IUPAC Name | 6-(5-{[benzyl(2-methanesulfonylethyl)amino]methyl}furan-2-yl)-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}quinazolin-4-amine |
Formula | C36H32ClFN4O4S |
Mass | 671.18 |
Exact Mass | 670.1816821 |
Composition | C (64.42%), H (4.81%), Cl (5.28%), F (2.83%), N (8.35%), O (9.54%), S (4.78%) |
Atom Count | 79 |
PI | 11.12 |
Smiles | C(N(CCS(=O)(=O)C)Cc1ccccc1)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
InChI | 1S/C36H32ClFN4O4S/c1-47(43,44)17-16-42(21-25-6-3-2-4-7-25)22-30-12-15-34(46-30)27-10-13-33-31(19-27)
36(40-24-39-33)41-29-11-14-35(32(37)20-29)45-23-26-8-5-9-28(38)18-26/h2-15,18-20,24H,16-17,21-23H2,1
H3,(H,39,40,41) |
InChIKey | NVTIQCRSEMKCEN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001881.png) | Structure Backbone | ![](./frame/f_EGIN0001881.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 | 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 |
9874613
|
Drug Bank Link | - |
ChemSpider Link | 8050302 |
ChEMBL Link | CHEMBL445572 |