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6GE

Summary
Name:4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol
Formula:C17 H16 N2 O3 S
Formal charge:0
Formula weight:328.386 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol
OpenEye OEToolkits2.0.44-methyl-3-[(6-methylsulfonylquinolin-4-yl)amino]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c2c1cc(ccc1ncc2)S(C)(=O)=O)c3cc(ccc3C)O
InChIInChI1.03InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
InChIKeyInChI1.03BVHZLDLRNBQWRF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)(=O)=O
SMILESCACTVS3.385Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O
SMILESOpenEye OEToolkits2.0.4Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O

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PDB entries from 2024-07-10

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