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D1W

Summary
Name:6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine
Formula:C23 H25 N3 O3
Formal charge:0
Formula weight:391.463 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H25N3O3/c1-26(2)15-16-7-9-17(10-8-16)24-20-12-11-19(25-23(20)27-3)18-5-4-6-21-22(18)29-14-13-28-21/h4-12,24H,13-15H2,1-3H3
InChIKeyInChI1.03MJHHFDJNRRCUOB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1nc(ccc1Nc2ccc(CN(C)C)cc2)c3cccc4OCCOc34
SMILESCACTVS3.385COc1nc(ccc1Nc2ccc(CN(C)C)cc2)c3cccc4OCCOc34
SMILES_CANONICALOpenEye OEToolkits2.0.6CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4
SMILESOpenEye OEToolkits2.0.6CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4

219140

PDB entries from 2024-05-01

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