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Y47

Summary
Name:4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide
Formula:C17 H20 N4 O3
Formal charge:0
Formula weight:328.366 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide
OpenEye OEToolkits2.0.74-(5-methylfuran-2-yl)carbonyl-~{N}-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCN(CC1)C(NCc2cnccc2)=O)C(c3ccc(C)o3)=O
InChIInChI1.03InChI=1S/C17H20N4O3/c1-13-4-5-15(24-13)16(22)20-7-9-21(10-8-20)17(23)19-12-14-3-2-6-18-11-14/h2-6,11H,7-10,12H2,1H3,(H,19,23)
InChIKeyInChI1.03HGHNCKMHUMBNIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3
SMILESCACTVS3.385Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3
SMILESOpenEye OEToolkits2.0.7Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccnc3

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PDB entries from 2024-07-17

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