Chemical Components in the PDB

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FX5 : Summary

Code

FX5

One-letter code

X

Molecule name

2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol

Formula

C14 H18 N5 O

Formal charge

1

Molecular weight

272.326 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O
SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O
Canonical SMILES CACTVS 3.385 Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O

IUPAC InChI

InChI=1S/C14H17N5O/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20/h1-4,9,16,20H,5-8H2,(H2,15,18)/p+1

IUPAC InChI key

SZKHGLTYXIDOFH-UHFFFAOYSA-O
FX5

wwPDB Information

Atom count

38 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-10

Last modified at

2019-06-07

Status

Released

Obsoleted

Not Assigned