Chemical Components in the PDB

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LFB : Summary

Code

LFB

One-letter code

X

Molecule name

7-methoxy-1-benzothiophene-2-carboximidamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 7-methoxy-1-benzothiophene-2-carboximidamide

Formula

C10 H10 N2 O S

Formal charge

0

Molecular weight

206.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1cccc2cc(sc12)C(N)=N
SMILES OpenEye OEToolkits 2.0.7 COc1cccc2c1sc(c2)C(=N)N
Canonical SMILES CACTVS 3.385 COc1cccc2cc(sc12)C(N)=N
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\c1cc2cccc(c2s1)OC)/N

IUPAC InChI

InChI=1S/C10H10N2OS/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H3,11,12)

IUPAC InChI key

ZWUNRCDOCDRURS-UHFFFAOYSA-N
LFB

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-12

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned