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CFTRinh-172

Properties

Image

Occurences in reactions

MNX_ID

MNXM499289

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₈H₁₀F₃NO₃S₂

charge

mass

409.00542

reference

InChIKey

JIMHYXZZCWVCMI-UHFFFAOYSA-N

InChI

InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)

SMILES

O=C(O)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131686 chebi:131686	CFTRinh-172 (inh)-172 3-[(3-trifluoromethyl)phenyl]-5-[(3-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone 4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid 5-[(4-carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl]-4-thiazolidinone C2992_SIGMA CFTR(inh)-172 Cystic fibrosis transmembrane conductance regulator inhibitor CFTR(inh)-172 cystic fibrosis transmembrane regulator inhibitor 172