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

IS7

Summary
Name:1,5-dimethyl-3~{H}-indol-2-one
Formula:C10 H11 N O
Formal charge:0
Formula weight:161.2 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,5-dimethyl-3~{H}-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C10H11NO/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3
InChIKeyInChI1.03OSKUFVWHNUVFJR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)Cc2cc(C)ccc12
SMILESCACTVS3.385CN1C(=O)Cc2cc(C)ccc12
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)CC(=O)N2C
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)CC(=O)N2C

222624

数据于2024-07-17公开中

PDB statisticsPDBj update infoContact PDBjnumon