Chemical Components in the PDB

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GB9 : Summary

Code

GB9

One-letter code

X

Molecule name

N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide

Synonyms

ztz240

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide

Formula

C12 H8 Cl F N2 O

Formal charge

0

Molecular weight

250.656 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F
Canonical SMILES CACTVS 3.385 Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F

IUPAC InChI

InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)

IUPAC InChI key

URPKVELJRWKNQS-UHFFFAOYSA-N
GB9

wwPDB Information

Atom count

25 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-17

Last modified at

2020-11-05

Status

Released

Obsoleted

Not Assigned