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L8J

Summary
Name:[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:C10 H8 Br2 N O4 P
Formal charge:0
Formula weight:396.957 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
OpenEye OEToolkits2.0.7[5,7-bis(bromanyl)-2-oxidanylidene-1~{H}-quinolin-4-yl]methylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(Br)c2c(c1)NC(C=C2CP(O)(O)=O)=O)Br
InChIInChI1.03InChI=1S/C10H8Br2NO4P/c11-6-2-7(12)10-5(4-18(15,16)17)1-9(14)13-8(10)3-6/h1-3H,4H2,(H,13,14)(H2,15,16,17)
InChIKeyInChI1.03YMPWKSWKTYLHON-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[P](O)(=O)CC1=CC(=O)Nc2cc(Br)cc(Br)c12
SMILESCACTVS3.385O[P](O)(=O)CC1=CC(=O)Nc2cc(Br)cc(Br)c12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br
SMILESOpenEye OEToolkits2.0.7c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br

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PDB entries from 2024-07-17

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