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X98

Summary
Name:1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one
Formula:C26 H28 N4 O3
Formal charge:0
Formula weight:444.526 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one
OpenEye OEToolkits1.7.01-[3-oxo-3-[(2S)-2-pyrrolidin-1-ylcarbonylpyrrolidin-1-yl]propyl]-3-phenyl-quinoxalin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCCC1)C5N(C(=O)CCN3c4ccccc4N=C(c2ccccc2)C3=O)CCC5
SMILES_CANONICALCACTVS3.370O=C(CCN1C(=O)C(=Nc2ccccc12)c3ccccc3)N4CCC[C@H]4C(=O)N5CCCC5
SMILESCACTVS3.370O=C(CCN1C(=O)C(=Nc2ccccc12)c3ccccc3)N4CCC[CH]4C(=O)N5CCCC5
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCC[C@H]4C(=O)N5CCCC5
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)C2=Nc3ccccc3N(C2=O)CCC(=O)N4CCCC4C(=O)N5CCCC5
InChIInChI1.03InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1
InChIKeyInChI1.03KWCKZIJGKMCYCI-QFIPXVFZSA-N

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건을2024-07-10부터공개중

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