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PDZ

Summary
Name:6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one
Formula:C17 H12 Cl F N2 O2
Formal charge:0
Formula weight:330.741 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one
OpenEye OEToolkits1.5.06-[(4-chloro-2-fluoro-3-phenoxy-phenyl)methyl]-2H-pyridazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=CC(=NN1)Cc3ccc(Cl)c(Oc2ccccc2)c3F
SMILES_CANONICALCACTVS3.341Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3
SMILESCACTVS3.341Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3)Cl
InChIInChI1.03InChI=1S/C17H12ClFN2O2/c18-14-8-6-11(10-12-7-9-15(22)21-20-12)16(19)17(14)23-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,22)
InChIKeyInChI1.03NOVPOXGMADEKPP-UHFFFAOYSA-N

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PDB entries from 2024-08-07

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