Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5EG

Summary
Name:2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide
Formula:C17 H15 Cl2 N7 O3
Formal charge:0
Formula weight:436.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide
OpenEye OEToolkits1.9.21-[2-[5-[(2-chloranylphenoxy)methyl]-1,2,3,4-tetrazol-1-yl]ethanoylamino]-3-(4-chlorophenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)(Cn1nnnc1COc2ccccc2Cl)NNC(=O)Nc3ccc(cc3)Cl
InChIInChI1.03InChI=1S/C17H15Cl2N7O3/c18-11-5-7-12(8-6-11)20-17(28)23-22-16(27)9-26-15(21-24-25-26)10-29-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,22,27)(H2,20,23,28)
InChIKeyInChI1.03ZWKKYQAZABDTRS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(NC(=O)NNC(=O)Cn2nnnc2COc3ccccc3Cl)cc1
SMILESCACTVS3.385Clc1ccc(NC(=O)NNC(=O)Cn2nnnc2COc3ccccc3Cl)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl
SMILESOpenEye OEToolkits1.9.2c1ccc(c(c1)OCc2nnnn2CC(=O)NNC(=O)Nc3ccc(cc3)Cl)Cl

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon