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SummaryGeometryRelated PDB entries

2RE

Summary
Name:4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
Formula:C20 H14 F N3 O
Formal charge:0
Formula weight:331.343 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
OpenEye OEToolkits1.7.64-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc4ccc(c2nc(c1ccc(O)cc1)nc2c3ccncc3)cc4
InChIInChI1.03InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
InChIKeyInChI1.03QHKYPYXTTXKZST-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4
SMILESCACTVS3.385Oc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O

226262

PDB entries from 2024-10-16

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