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ECR

Summary
Name:2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
Formula:C12 H9 F N4 O
Formal charge:0
Formula weight:244.224 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H9FN4O/c13-7-1-2-9(18)12-11(7)8(5-10(14)16-12)17-4-3-15-6-17/h1-6,18H,(H2,14,16)
InChIKeyInChI1.03GTPKCMGAPYYKBH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1
SMILESCACTVS3.385Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F
SMILESOpenEye OEToolkits2.0.7c1cc(c2c(cc(nc2c1O)N)n3ccnc3)F

223532

數據於2024-08-07公開中

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