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

VX3

Summary
Name:2,3-diphenyl-1H-indole-7-carboxylic acid
Formula:C21 H15 N O2
Formal charge:0
Formula weight:313.349 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,3-diphenyl-1H-indole-7-carboxylic acid
OpenEye OEToolkits1.5.02,3-diphenyl-1H-indole-7-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1cccc2c1nc(c2c3ccccc3)c4ccccc4
SMILES_CANONICALCACTVS3.341OC(=O)c1cccc2c1[nH]c(c3ccccc3)c2c4ccccc4
SMILESCACTVS3.341OC(=O)c1cccc2c1[nH]c(c3ccccc3)c2c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O
InChIInChI1.03InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)
InChIKeyInChI1.03OLUDUXWVPIEHDA-UHFFFAOYSA-N

224931

數據於2024-09-11公開中

PDB statisticsPDBj update infoContact PDBjnumon