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A1B7Y

Summary
Name:[(7-cyclopropyl-6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:C13 H13 F N O4 P
Formal charge:0
Formula weight:297.219 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52[(7-cyclopropyl-6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
OpenEye OEToolkits3.1.0.0(7-cyclopropyl-6-fluoranyl-2-oxidanylidene-1~{H}-quinolin-4-yl)methylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=P(O)(O)CC1=CC(=O)Nc2cc(c(F)cc21)C1CC1
InChIInChI1.06InChI=1S/C13H13FNO4P/c14-11-4-10-8(6-20(17,18)19)3-13(16)15-12(10)5-9(11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)(H2,17,18,19)
InChIKeyInChI1.06OFZWLVDWEQDHFM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[P](O)(=O)CC1=CC(=O)Nc2cc(C3CC3)c(F)cc12
SMILESCACTVS3.385O[P](O)(=O)CC1=CC(=O)Nc2cc(C3CC3)c(F)cc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c(c(cc2c1NC(=O)C=C2CP(=O)(O)O)F)C3CC3
SMILESOpenEye OEToolkits3.1.0.0c1c(c(cc2c1NC(=O)C=C2CP(=O)(O)O)F)C3CC3

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PDB entries from 2026-04-01

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