General Property |
Molceule ID (DB) | EGIN0002509 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6b compound |
IUPAC Name | (2E)-3-{5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]thiophen-2-yl}-N-hydroxyprop-2-enamide |
Formula | C28H20ClFN4O3S |
Mass | 547 |
Exact Mass | 546.0928671 |
Composition | C (61.48%), H (3.69%), Cl (6.48%), F (3.47%), N (10.24%), O (8.77%), S (5.86%) |
Atom Count | 58 |
PI | 6.69 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(s1)/C=C/C(=O)NO |
InChI | 1S/C28H20ClFN4O3S/c29-23-14-20(5-9-25(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-3
2-28)26-10-6-21(38-26)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+ |
InChIKey | SUBNLERWESOYMX-YRNVUSSQSA-N |
2D Structure | | Structure Backbone | |
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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 | PDGFR beta | InsR | Abl1 | PlK1 | PKA | CDK2 | ALL |
Pub Chem Link |
49855569
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Drug Bank Link | - |
ChemSpider Link | 26377325 |
ChEMBL Link | CHEMBL1630108 |