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QBY

Summary
Name:6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL)
Formula:C23 H24 N2 O3 S
Formal charge:0
Formula weight:408.513 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(4-ethylsulfanyl-6-phenylmethoxy-quinolin-3-yl)-morpholin-4-yl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H24N2O3S/c1-2-29-22-19-14-18(28-16-17-6-4-3-5-7-17)8-9-21(19)24-15-20(22)23(26)25-10-12-27-13-11-25/h3-9,14-15H,2,10-13,16H2,1H3
InChIKeyInChI1.03INDSTSRQMXNXSG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCSc1c(cnc2ccc(OCc3ccccc3)cc12)C(=O)N4CCOCC4
SMILESCACTVS3.385CCSc1c(cnc2ccc(OCc3ccccc3)cc12)C(=O)N4CCOCC4
SMILES_CANONICALOpenEye OEToolkits1.7.6CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4
SMILESOpenEye OEToolkits1.7.6CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4

222415

数据于2024-07-10公开中

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