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IP6

Summary
Name:N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE
Formula:C20 H18 N4
Formal charge:0
Formula weight:314.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~3~-[3-(1H-indol-6-yl)benzyl]pyridine-2,3-diamine
OpenEye OEToolkits1.5.0N'-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1cccc(c1N)NCc4cccc(c2ccc3c(c2)ncc3)c4
SMILES_CANONICALCACTVS3.341Nc1ncccc1NCc2cccc(c2)c3ccc4cc[nH]c4c3
SMILESCACTVS3.341Nc1ncccc1NCc2cccc(c2)c3ccc4cc[nH]c4c3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N
InChIInChI1.03InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)
InChIKeyInChI1.03LPQUIIHPUGDHJK-UHFFFAOYSA-N

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건을2024-09-11부터공개중

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