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MG0

Summary
Name:2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Synonyms:AMG-5980
Formula:C18 H18 F6 N4 O3 S
Formal charge:0
Formula weight:484.416 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
OpenEye OEToolkits1.7.62-[4-[4-(6-azanylpyridin-3-yl)sulfonylpiperazin-1-yl]phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3
InChIInChI1.03InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)
InChIKeyInChI1.03KSFOBWMWXKUTRU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(cn1)[S](=O)(=O)N2CCN(CC2)c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F
SMILESCACTVS3.385Nc1ccc(cn1)[S](=O)(=O)N2CCN(CC2)c3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N

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PDB entries from 2024-07-10

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