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SummaryGeometryRelated PDB entries

YVQ

Summary
Name:3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Formula:C17 H12 N6
Formal charge:0
Formula weight:300.317 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
OpenEye OEToolkits1.6.13-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4
SMILES_CANONICALCACTVS3.352[nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45
SMILESCACTVS3.352[nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5
SMILESOpenEye OEToolkits1.6.1c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5
InChIInChI1.03InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)
InChIKeyInChI1.03ZCWUDZOATSSBCE-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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