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72P

Summary
Name:3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid
Formula:C22 H16 Cl N O2 S
Formal charge:0
Formula weight:393.886 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.53-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H16ClNO2S/c1-14-21(27-18-9-5-6-15(12-18)22(25)26)19-11-10-16(23)13-20(19)24(14)17-7-3-2-4-8-17/h2-13H,1H3,(H,25,26)
InChIKeyInChI1.03QESQUQBNRUZICQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1n(c2ccccc2)c3cc(Cl)ccc3c1Sc4cccc(c4)C(O)=O
SMILESCACTVS3.385Cc1n(c2ccccc2)c3cc(Cl)ccc3c1Sc4cccc(c4)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O
SMILESOpenEye OEToolkits2.0.5Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O

246704

PDB entries from 2025-12-24

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