Chemical Components in the PDB

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FLP : Summary

Code

FLP

One-letter code

X

Molecule name

FLURBIPROFEN

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-(2-fluorobiphenyl-4-yl)propanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid

Formula

C15 H13 F O2

Formal charge

0

Molecular weight

244.261 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc2cc(ccc2c1ccccc1)C(C(=O)O)C
SMILES CACTVS 3.341 C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
Canonical SMILES CACTVS 3.341 C[C@H](C(O)=O)c1ccc(c(F)c1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O

IUPAC InChI

InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1

IUPAC InChI key

SYTBZMRGLBWNTM-JTQLQIEISA-N
FLP

wwPDB Information

Atom count

31 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned