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

A1CDJ

Summary
Name:4-fluoro-N'-[3-(methoxymethyl)benzene-1-sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
Formula:C22 H21 F N2 O4 S
Formal charge:0
Formula weight:428.477 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-fluoro-N'-[3-(methoxymethyl)benzene-1-sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
OpenEye OEToolkits3.1.0.02-fluoranyl-~{N}'-[3-(methoxymethyl)phenyl]sulfonyl-3-methyl-5-phenyl-benzohydrazide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=S(=O)(NNC(=O)c1cc(cc(C)c1F)c1ccccc1)c1cc(COC)ccc1
InChIInChI1.06InChI=1S/C22H21FN2O4S/c1-15-11-18(17-8-4-3-5-9-17)13-20(21(15)23)22(26)24-25-30(27,28)19-10-6-7-16(12-19)14-29-2/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyInChI1.06RLLZIHVUIQZMPI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCc1cccc(c1)[S](=O)(=O)NNC(=O)c2cc(cc(C)c2F)c3ccccc3
SMILESCACTVS3.385COCc1cccc(c1)[S](=O)(=O)NNC(=O)c2cc(cc(C)c2F)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)COC)c3ccccc3
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)COC)c3ccccc3

249524

PDB entries from 2026-02-18

PDB statisticsPDBj update infoContact PDBjnumon