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Z48

Summary
Name:N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
Formula:C24 H23 N5 O2
Formal charge:0
Formula weight:413.472 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.5.0N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-(5-methyl-2-phenylazanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c3cc(c1nc(ncc1C)Nc2ccccc2)cn3)NC(c4ccccc4)CO
SMILES_CANONICALCACTVS3.341Cc1cnc(Nc2ccccc2)nc1c3c[nH]c(c3)C(=O)N[C@H](CO)c4ccccc4
SMILESCACTVS3.341Cc1cnc(Nc2ccccc2)nc1c3c[nH]c(c3)C(=O)N[CH](CO)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4
SMILESOpenEye OEToolkits1.5.0Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3ccccc3)Nc4ccccc4
InChIInChI1.03InChI=1S/C24H23N5O2/c1-16-13-26-24(27-19-10-6-3-7-11-19)29-22(16)18-12-20(25-14-18)23(31)28-21(15-30)17-8-4-2-5-9-17/h2-14,21,25,30H,15H2,1H3,(H,28,31)(H,26,27,29)/t21-/m1/s1
InChIKeyInChI1.03PFHKAGAZRDERTK-OAQYLSRUSA-N

218853

PDB entries from 2024-04-24

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