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V0P

Summary
Name:7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine
Formula:C24 H25 N5 O2
Formal charge:0
Formula weight:415.488 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(nc(ccc1)CNCCOc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChIInChI1.03InChI=1S/C24H25N5O2/c25-23-6-1-3-19(28-23)15-27-11-12-30-20-4-2-5-21(14-20)31-16-17-7-8-18-9-10-24(26)29-22(18)13-17/h1-10,13-14,27H,11-12,15-16H2,(H2,25,28)(H2,26,29)
InChIKeyInChI1.03ORKMBBJESKKJPF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cccc(CNCCOc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1
SMILESCACTVS3.385Nc1cccc(CNCCOc2cccc(OCc3ccc4ccc(N)nc4c3)c2)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)OCCNCc4cccc(n4)N

222415

건을2024-07-10부터공개중

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