TSK

3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione

Created:2011-06-09
Last modified:  2011-06-09

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count48
Aromatic Bond Count20
2D diagram of TSK

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Chemical Component Summary

Name3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione
Systematic Name (OpenEye OEToolkits)3-(5-fluoranyl-6-iodanyl-1-methyl-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
FormulaC22 H14 F I N2 O4
Molecular Weight516.26
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Ic1cc2c(cc1F)c(cn2C)C=5C(=O)NC(=O)C=5c3c4cccc(OC)c4oc3
SMILESCACTVS3.370COc1cccc2c1occ2C3=C(C(=O)NC3=O)c4cn(C)c5cc(I)c(F)cc45
SMILESOpenEye OEToolkits1.7.2Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC
Canonical SMILESCACTVS3.370 COc1cccc2c1occ2C3=C(C(=O)NC3=O)c4cn(C)c5cc(I)c(F)cc45
Canonical SMILESOpenEye OEToolkits1.7.2 Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC
InChIInChI1.03 InChI=1S/C22H14FIN2O4/c1-26-8-12(11-6-14(23)15(24)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)
InChIKeyInChI1.03 JBKILIGSDAQHSL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24825779
ChEMBL CHEMBL523435