ZD6

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Summary

Name:Vandetanib
Synonyms:ZD6474
Formula:C22 H24 Br F N4 O2
Formal charge:0
Molecular weight:475.354 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
InChIKeyInChI1.03UHTHHESEBZOYNR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
SMILESCACTVS3.385COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
SMILES_CANONICALOpenEye OEToolkits2.0.6CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
SMILESOpenEye OEToolkits2.0.6CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
170383
PDB entries from 2020-10-28