Chemical Components in the PDB

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ECF : Summary

Code

ECF

One-letter code

X

Molecule name

2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol

Formula

C12 H9 F N4 O

Formal charge

0

Molecular weight

244.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1
SMILES OpenEye OEToolkits 2.0.7 c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N
Canonical SMILES CACTVS 3.385 Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cn(cn1)c2cc(nc3c2cc(cc3O)F)N

IUPAC InChI

InChI=1S/C12H9FN4O/c13-7-3-8-9(17-2-1-15-6-17)5-11(14)16-12(8)10(18)4-7/h1-6,18H,(H2,14,16)

IUPAC InChI key

QOIJKDPLEGOZIH-UHFFFAOYSA-N
ECF

wwPDB Information

Atom count

27 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-12-10

Last modified at

2020-12-04

Status

Released

Obsoleted

Not Assigned