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A1C5O

Summary
Name:3,3'-methylenebis(5,7-difluoro-1H-indole)
Formula:C17 H10 F4 N2
Formal charge:0
Formula weight:318.268 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.523,3'-methylenebis(5,7-difluoro-1H-indole)
OpenEye OEToolkits3.1.0.03-[[5,7-bis(fluoranyl)-1~{H}-indol-3-yl]methyl]-5,7-bis(fluoranyl)-1~{H}-indole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1cc2c([NH]cc2Cc2c[NH]c3c(F)cc(F)cc32)c(F)c1
InChIInChI1.06InChI=1S/C17H10F4N2/c18-10-2-12-8(6-22-16(12)14(20)4-10)1-9-7-23-17-13(9)3-11(19)5-15(17)21/h2-7,22-23H,1H2
InChIKeyInChI1.06VOZFGFKTXNHCLF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(F)c2[nH]cc(Cc3c[nH]c4c(F)cc(F)cc34)c2c1
SMILESCACTVS3.385Fc1cc(F)c2[nH]cc(Cc3c[nH]c4c(F)cc(F)cc34)c2c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c(cc(c2c1c(c[nH]2)Cc3c[nH]c4c3cc(cc4F)F)F)F
SMILESOpenEye OEToolkits3.1.0.0c1c(cc(c2c1c(c[nH]2)Cc3c[nH]c4c3cc(cc4F)F)F)F

258735

PDB entries from 2026-08-26

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