General Property |
Molceule ID (DB) | EGIN0002519 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8b compound |
IUPAC Name | 5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]-N-hydroxythiophene-2-carboxamide |
Formula | C26H18ClFN4O3S |
Mass | 520.963 |
Exact Mass | 520.0772171 |
Composition | C (59.94%), H (3.48%), Cl (6.81%), F (3.65%), N (10.75%), O (9.21%), S (6.15%) |
Atom Count | 54 |
PI | 6.46 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(s1)C(=O)NO |
InChI | 1S/C26H18ClFN4O3S/c27-20-12-18(5-7-22(20)35-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-3
0-25)23-8-9-24(36-23)26(33)32-34/h1-12,14,34H,13H2,(H,32,33)(H,29,30,31) |
InChIKey | DNZYOZKYEXTOPJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002519.png) | Structure Backbone | ![](./frame/f_EGIN0002519.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 | Abl1 | InsR | PDGFR beta | CDK2 | PlK1 | ALL |
Pub Chem Link |
49855953
|
Drug Bank Link | - |
ChemSpider Link | 26378115 |
ChEMBL Link | CHEMBL1630118 |