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

5DF

Summary
Name:4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol
Formula:C18 H16 N2 O3 S
Formal charge:0
Formula weight:340.396 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol
OpenEye OEToolkits1.9.24-[6-azanyl-5-(4-methylsulfonylphenyl)pyridin-3-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(cc1)O)c2cc(c(nc2)N)c3ccc(cc3)S(=O)(=O)C
InChIInChI1.03InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20)
InChIKeyInChI1.03XFEKSSMJINNJSX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)cc3
SMILESCACTVS3.385C[S](=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O
SMILESOpenEye OEToolkits1.9.2CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O

219140

PDB entries from 2024-05-01

PDB statisticsPDBj update infoContact PDBjnumon