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UGT

Summary
Name:N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
Formula:C16 H19 N3 O S
Formal charge:0
Formula weight:301.407 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6N'-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H19N3OS/c17-16(15-5-2-8-21-15)19-13-4-1-3-12(9-13)11-20-14-6-7-18-10-14/h1-5,8-9,14,18H,6-7,10-11H2,(H2,17,19)/t14-/m1/s1
InChIKeyInChI1.03OOJUYDKIKUNGMC-CQSZACIVSA-N
SMILES_CANONICALCACTVS3.385NC(=Nc1cccc(CO[C@@H]2CCNC2)c1)c3sccc3
SMILESCACTVS3.385NC(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC3
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)N=C(c2cccs2)N)COC3CCNC3

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PDB entries from 2024-08-07

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