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Summary

Name:[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
Formula:C15 H13 B N2 O2
Formal charge:0
Molecular weight:264.087 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
OpenEye OEToolkits2.0.6[3-(1-azanylisoquinolin-6-yl)phenyl]boronic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3
InChIInChI1.03InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18)
InChIKeyInChI1.03CCUGLTODPQTEBR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nccc2cc(ccc12)c3cccc(c3)B(O)O
SMILESCACTVS3.385Nc1nccc2cc(ccc12)c3cccc(c3)B(O)O
SMILES_CANONICALOpenEye OEToolkits2.0.6B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O
SMILESOpenEye OEToolkits2.0.6B(c1cccc(c1)c2ccc3c(c2)ccnc3N)(O)O