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V57

Summary
Name:7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
Formula:C24 H24 N4 O
Formal charge:0
Formula weight:384.474 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
OpenEye OEToolkits2.0.77-[[3-[(2-pyridin-2-ylethylamino)methyl]phenoxy]methyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N
InChIInChI1.03InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28)
InChIKeyInChI1.03VWEIPCRIPQWNJS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1
SMILESCACTVS3.385Nc1ccc2ccc(COc3cccc(CNCCc4ccccn4)c3)cc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N
SMILESOpenEye OEToolkits2.0.7c1ccnc(c1)CCNCc2cccc(c2)OCc3ccc4ccc(nc4c3)N

224931

数据于2024-09-11公开中

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