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V54

Summary
Name:7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:C23 H23 N5 O
Formal charge:0
Formula weight:385.462 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
OpenEye OEToolkits2.0.77-[[3-[[(6-azanylpyridin-2-yl)methylamino]methyl]phenoxy]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChIInChI1.03InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28)
InChIKeyInChI1.03NZFRFODKYHOBEA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cccc(CNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1
SMILESCACTVS3.385Nc1cccc(CNCc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNCc4cccc(n4)N

224931

数据于2024-09-11公开中

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