General Property |
Molceule ID (DB) | EGIN0000571 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 43 compound |
IUPAC Name | {2-butyl-4-chloro-1-[3-({4-[(3-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propyl]-1H-imidazol-5-yl}methanol |
Formula | C26H29ClFN5O3 |
Mass | 513.992 |
Exact Mass | 513.1942957 |
Composition | C (60.76%), H (5.69%), Cl (6.9%), F (3.7%), N (13.63%), O (9.34%) |
Atom Count | 65 |
PI | 9.52 |
Smiles | c12c(cc(c(c1)OCCCn1c(nc(c1CO)Cl)CCCC)OC)ncnc2Nc1cccc(c1)F |
InChI | 1S/C26H29ClFN5O3/c1-3-4-9-24-32-25(27)21(15-34)33(24)10-6-11-36-23-13-19-20(14-22(23)35-2)29-16-30-2
6(19)31-18-8-5-7-17(28)12-18/h5,7-8,12-14,16,34H,3-4,6,9-11,15H2,1-2H3,(H,29,30,31) |
InChIKey | FOWOGOLQONPNFB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000571.png) | Structure Backbone | ![](./frame/f_EGIN0000571.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 | 18771819 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 24625188 |
ChEMBL Link | CHEMBL559392 |