Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

TWM

Summary
Name:4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
Formula:C19 H21 N3 O2
Formal charge:0
Formula weight:323.389 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
OpenEye OEToolkits2.0.74-[[3-[(dimethylamino)methyl]indol-1-yl]methyl]-~{N}-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3
InChIInChI1.03InChI=1S/C19H21N3O2/c1-21(2)12-16-13-22(18-6-4-3-5-17(16)18)11-14-7-9-15(10-8-14)19(23)20-24/h3-10,13,24H,11-12H2,1-2H3,(H,20,23)
InChIKeyInChI1.03LYCCCRFBRDLGGA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILESCACTVS3.385CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO
SMILESOpenEye OEToolkits2.0.7CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO

222624

건을2024-07-17부터공개중

PDB statisticsPDBj update infoContact PDBjnumon