Chemical Components in the PDB

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FYV : Summary

Code

FYV

One-letter code

X

Molecule name

3-(pyridin-4-yl)imidazo[1,2-b]pyridazine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
OpenEye OEToolkits 2.0.6 3-pyridin-4-ylimidazo[1,2-b]pyridazine

Formula

C11 H8 N4

Formal charge

0

Molecular weight

196.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(ccn1)c2n3c(nc2)cccn3
SMILES CACTVS 3.385 c1cnn2c(c1)ncc2c3ccncc3
SMILES OpenEye OEToolkits 2.0.6 c1cc2ncc(n2nc1)c3ccncc3
Canonical SMILES CACTVS 3.385 c1cnn2c(c1)ncc2c3ccncc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc2ncc(n2nc1)c3ccncc3

IUPAC InChI

InChI=1S/C11H8N4/c1-2-11-13-8-10(15(11)14-5-1)9-3-6-12-7-4-9/h1-8H

IUPAC InChI key

JVTKTZKSPATBCI-UHFFFAOYSA-N
FYV

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-26

Last modified at

2018-05-04

Status

Released

Obsoleted

Not Assigned