General Property |
Molceule ID (DB) | EGIN0001874 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | N-{4-[(3-fluorophenyl)methoxy]-3-(trifluoromethyl)phenyl}-6-[5-({[2-(pyridine-2-sulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine |
Formula | C34H27F4N5O4S |
Mass | 677.668 |
Exact Mass | 677.1719879 |
Composition | C (60.26%), H (4.02%), F (11.21%), N (10.33%), O (9.44%), S (4.73%) |
Atom Count | 75 |
PI | 11.53 |
Smiles | C(NCCS(=O)(=O)c1ncccc1)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)C(F)(F)F)o1 |
InChI | 1S/C34H27F4N5O4S/c35-24-5-3-4-22(16-24)20-46-31-11-8-25(18-28(31)34(36,37)38)43-33-27-17-23(7-10-29(
27)41-21-42-33)30-12-9-26(47-30)19-39-14-15-48(44,45)32-6-1-2-13-40-32/h1-13,16-18,21,39H,14-15,19-2
0H2,(H,41,42,43) |
InChIKey | NXQXZOZVAHCESP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001874.png) | Structure Backbone | ![](./frame/f_EGIN0001874.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 |
44416288
|
Drug Bank Link | - |
ChemSpider Link | 23275680 |
ChEMBL Link | CHEMBL214023 |