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A1A22

Summary
Name:[(7-cyclopropyl-6-fluoro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Formula:C14 H15 F N O4 P
Formal charge:0
Formula weight:311.245 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52[(7-cyclopropyl-6-fluoro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
OpenEye OEToolkits2.0.7(7-cyclopropyl-6-fluoranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)methylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=P(O)(O)CC1=CC(=O)N(C)c2cc(c(F)cc21)C1CC1
InChIInChI1.06InChI=1S/C14H15FNO4P/c1-16-13-6-10(8-2-3-8)12(15)5-11(13)9(4-14(16)17)7-21(18,19)20/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
InChIKeyInChI1.06LWVVYRFECQFPGI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)C=C(C[P](O)(O)=O)c2cc(F)c(cc12)C3CC3
SMILESCACTVS3.385CN1C(=O)C=C(C[P](O)(O)=O)c2cc(F)c(cc12)C3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)C3CC3
SMILESOpenEye OEToolkits2.0.7CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)C3CC3

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PDB entries from 2026-07-01

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