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SummaryGeometryRelated PDB entries

2R4

Summary
Name:8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one
Synonyms:NU7441
Formula:C25 H19 N O3 S
Formal charge:0
Formula weight:413.488 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one
OpenEye OEToolkits1.7.68-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C5c6cccc(c2cccc1c3c(sc12)cccc3)c6OC(N4CCOCC4)=C5
InChIInChI1.03InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
InChIKeyInChI1.03JAMULYFATHSZJM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1C=C(Oc2c1cccc2c3cccc4c3sc5ccccc45)N6CCOCC6
SMILESCACTVS3.385O=C1C=C(Oc2c1cccc2c3cccc4c3sc5ccccc45)N6CCOCC6
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6

218853

PDB entries from 2024-04-24

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