Chemical Components in the PDB

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LK9 : Summary

Code

LK9

One-letter code

X

Molecule name

3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol

Formula

C19 H15 N3 O

Formal charge

0

Molecular weight

301.342 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1nc2ccc3cc(O)ccc3c2nc1Cc4ccccc4
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cc2c(nc3ccc4cc(ccc4c3n2)O)N
Canonical SMILES CACTVS 3.385 Nc1nc2ccc3cc(O)ccc3c2nc1Cc4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)Cc2c(nc3ccc4cc(ccc4c3n2)O)N

IUPAC InChI

InChI=1S/C19H15N3O/c20-19-17(10-12-4-2-1-3-5-12)21-18-15-8-7-14(23)11-13(15)6-9-16(18)22-19/h1-9,11,23H,10H2,(H2,20,22)

IUPAC InChI key

FZAJVBZJLFLZOR-UHFFFAOYSA-N
LK9

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-07-05

Last modified at

2022-10-14

Status

Released

Obsoleted

Not Assigned