2JZ

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Summary

Name:N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
Formula:C28 H26 F N7 O2
Formal charge:0
Molecular weight:511.55 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
OpenEye OEToolkits1.5.0N2-(3,4-dimethoxyphenyl)-N6-[2-(2-fluorophenyl)ethyl]-N4-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1ccccc1CCNc2nc(nc(n2)Nc3ccc(OC)c(OC)c3)Nc5cc4cccnc4cc5
SMILES_CANONICALCACTVS3.341COc1ccc(Nc2nc(NCCc3ccccc3F)nc(Nc4ccc5ncccc5c4)n2)cc1OC
SMILESCACTVS3.341COc1ccc(Nc2nc(NCCc3ccccc3F)nc(Nc4ccc5ncccc5c4)n2)cc1OC
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F
InChIInChI1.03InChI=1S/C28H26FN7O2/c1-37-24-12-10-21(17-25(24)38-2)33-28-35-26(31-15-13-18-6-3-4-8-22(18)29)34-27(36-28)32-20-9-11-23-19(16-20)7-5-14-30-23/h3-12,14,16-17H,13,15H2,1-2H3,(H3,31,32,33,34,35,36)
InChIKeyInChI1.03FLCQZZIDGSESAD-UHFFFAOYSA-N
167327
PDB entries from 2020-08-05