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SummaryGeometryRelated PDB entries

TIJ

Summary
Name:5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one
Formula:C24 H17 N O4
Formal charge:0
Formula weight:383.396 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H17NO4/c26-16-10-20(27)24-21(28)12-22(29-23(24)11-16)18-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-17(18)19/h1-12,14,26-27H,13H2
InChIKeyInChI1.06BMIWEBKOGMVKTC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)c5ccccc35
SMILESCACTVS3.385Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)c5ccccc35
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Cn2cc(c3c2cccc3)C4=CC(=O)c5c(cc(cc5O4)O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Cn2cc(c3c2cccc3)C4=CC(=O)c5c(cc(cc5O4)O)O

223532

PDB entries from 2024-08-07

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