Chemical Components in the PDB

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5OG : Summary

Code

5OG

One-letter code

X

Molecule name

Belinostat

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (~{E})-~{N}-oxidanyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

Formula

C15 H14 N2 O4 S

Formal charge

0

Molecular weight

318.348 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)C=Cc1cccc(c1)[S](=O)(=O)Nc2ccccc2
SMILES OpenEye OEToolkits 2.0.4 c1ccc(cc1)NS(=O)(=O)c2cccc(c2)C=CC(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)\C=C\c1cccc(c1)[S](=O)(=O)Nc2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.4 c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO

IUPAC InChI

InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+

IUPAC InChI key

NCNRHFGMJRPRSK-MDZDMXLPSA-N
5OG

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-10-29

Last modified at

2016-07-22

Status

Released

Obsoleted

Not Assigned