Chemical Components in the PDB

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GZT : Summary

Code

GZT

One-letter code

X

Molecule name

1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide

Formula

C15 H12 F2 N2 O4

Formal charge

0

Molecular weight

322.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNC(=O)C1=CC=CN(Cc2ccc3OC(F)(F)Oc3c2)C1=O
SMILES OpenEye OEToolkits 2.0.6 CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F
Canonical SMILES CACTVS 3.385 CNC(=O)C1=CC=CN(Cc2ccc3OC(F)(F)Oc3c2)C1=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F

IUPAC InChI

InChI=1S/C15H12F2N2O4/c1-18-13(20)10-3-2-6-19(14(10)21)8-9-4-5-11-12(7-9)23-15(16,17)22-11/h2-7H,8H2,1H3,(H,18,20)

IUPAC InChI key

AUOUHYVJJFEJOE-UHFFFAOYSA-N
GZT

wwPDB Information

Atom count

35 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-27

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned