General Property |
Molceule ID (DB) | EGIN0000595 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 24 compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine |
Formula | C27H33ClFN5O3 |
Mass | 530.034 |
Exact Mass | 529.2255959 |
Composition | C (61.18%), H (6.28%), Cl (6.69%), F (3.58%), N (13.21%), O (9.06%) |
Atom Count | 70 |
PI | 11.77 |
Smiles | c12c(cc(cc1OC1CCOCC1)OCCCN1CCN(CC1)C)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C27H33ClFN5O3/c1-33-8-10-34(11-9-33)7-2-12-36-21-16-24-26(25(17-21)37-20-5-13-35-14-6-20)27(31-18
-30-24)32-19-3-4-23(29)22(28)15-19/h3-4,15-18,20H,2,5-14H2,1H3,(H,30,31,32) |
InChIKey | UYNGIWGAHXGANL-UHFFFAOYSA-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 | 16380259 |
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 | 23267967 |
ChEMBL Link | CHEMBL205776 |