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91Q

Summary
Name:3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol
Formula:C12 H16 N2 O
Formal charge:0
Formula weight:204.268 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
InChIKeyInChI1.03SPCIYGNTAMCTRO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCc1c[nH]c2cccc(O)c12
SMILESCACTVS3.385CN(C)CCc1c[nH]c2cccc(O)c12
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)CCc1c[nH]c2c1c(ccc2)O
SMILESOpenEye OEToolkits2.0.7CN(C)CCc1c[nH]c2c1c(ccc2)O

219515

PDB entries from 2024-05-08

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