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EK9

Summary
Name:N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Formula:C24 H22 N4 O2
Formal charge:0
Formula weight:398.457 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.7.64-(5-methyl-2-phenyl-pyrimidin-4-yl)-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c3cc(c1nc(ncc1C)c2ccccc2)cn3)NC(c4ccccc4)CO
InChIInChI1.03InChI=1S/C24H22N4O2/c1-16-13-26-23(18-10-6-3-7-11-18)28-22(16)19-12-20(25-14-19)24(30)27-21(15-29)17-8-4-2-5-9-17/h2-14,21,25,29H,15H2,1H3,(H,27,30)/t21-/m1/s1
InChIKeyInChI1.03FNNBPGRLZUMRCC-OAQYLSRUSA-N
SMILES_CANONICALCACTVS3.370Cc1cnc(nc1c2c[nH]c(c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4
SMILESCACTVS3.370Cc1cnc(nc1c2c[nH]c(c2)C(=O)N[CH](CO)c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits1.7.6Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3ccccc3)c4ccccc4

223532

건을2024-08-07부터공개중

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