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SummaryGeometryRelated PDB entries

Obsolete: 577

577 was replaced with SB2 on
Summary
Name:4-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H-IMIDAZOL-4-YL]-PYRIDINE
Synonyms:SB202190
Formula:C21 H16 F N3 O S
Formal charge:0
Formula weight:377.435 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[4-(4-fluorophenyl)-2-{4-[(S)-methylsulfinyl]phenyl}-1H-imidazol-5-yl]pyridine
OpenEye OEToolkits1.5.04-[5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-3H-imidazol-4-yl]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc4ccc(c2nc(c1ccc(S(=O)C)cc1)nc2c3ccncc3)cc4
InChIInChI1.02bInChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/f/h25H
InChIKeyInChI1.02bCDMGBJANTYXAIV-LNNLXFCOCS
SMILES_CANONICALCACTVS3.341C[S@](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4
SMILESCACTVS3.341C[S](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4
SMILES_CANONICALOpenEye OEToolkits1.5.0CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4
SMILESOpenEye OEToolkits1.5.0CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4

218853

PDB entries from 2024-04-24

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