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JF8

Summary
Name:5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile
Formula:C12 H9 N5
Formal charge:0
Formula weight:223.233 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H9N5/c13-6-9-11(16-17-12(9)14)8-2-1-7-3-4-15-10(7)5-8/h1-5,15H,(H3,14,16,17)
InChIKeyInChI1.03ALVYLOVBZSBJDI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1[nH]nc(c2ccc3cc[nH]c3c2)c1C#N
SMILESCACTVS3.385Nc1[nH]nc(c2ccc3cc[nH]c3c2)c1C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N
SMILESOpenEye OEToolkits2.0.7c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N

226707

PDB entries from 2024-10-30

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