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SummaryGeometryRelated PDB entries

SZ6

Summary
Name:N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide
Formula:C28 H23 Cl F2 N4 O4
Formal charge:0
Formula weight:552.956 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide
OpenEye OEToolkits1.7.6N-[[4-[[2,2-bis(fluoranyl)ethanoylamino]methyl]phenyl]methyl]-N-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4nc(c3ccc(N(C(=O)c1ccc(O)cc1O)Cc2ccc(cc2)CNC(=O)C(F)F)cc3)c(cn4)C
InChIInChI1.03InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)
InChIKeyInChI1.03LCGNLQSOSJFLKR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CNC(=O)C(F)F)cc3)C(=O)c4ccc(O)cc4O
SMILESCACTVS3.385Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CNC(=O)C(F)F)cc3)C(=O)c4ccc(O)cc4O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl
SMILESOpenEye OEToolkits1.7.6Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)F)C(=O)c4ccc(cc4O)O)Cl

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PDB entries from 2024-07-24

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