Chemical Components in the PDB

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6FX : Summary

Code

6FX

One-letter code

X

Molecule name

methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate

Formula

C14 H10 N2 O4

Formal charge

0

Molecular weight

270.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2
SMILES OpenEye OEToolkits 2.0.4 COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O
Canonical SMILES CACTVS 3.385 COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2
Canonical SMILES OpenEye OEToolkits 2.0.4 COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O

IUPAC InChI

InChI=1S/C14H10N2O4/c1-19-14(18)9-4-8(6-15-7-9)12-5-10-11(20-12)2-3-16-13(10)17/h2-7H,1H3,(H,16,17)

IUPAC InChI key

CKTWBGKZILYBCF-UHFFFAOYSA-N
6FX

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-11

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned