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I15

Summary
Name:5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
Formula:C16 H9 F N4 O
Formal charge:0
Formula weight:292.267 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
OpenEye OEToolkits1.5.05-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#Cc3cc(Oc1c(F)ccc2c1c(nn2)C)cc(C#N)c3
SMILES_CANONICALCACTVS3.341Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
SMILESCACTVS3.341Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1
SMILESOpenEye OEToolkits1.5.0Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1
InChIInChI1.03InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
InChIKeyInChI1.03JYAHFMKZJRVTDT-UHFFFAOYSA-N

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PDB entries from 2024-08-07

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