Chemical Components in the PDB

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LFQ : Summary

Code

LFQ

One-letter code

X

Molecule name

5-methyl-4-phenyl-thiophene-2-carboximidamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-methyl-4-phenyl-thiophene-2-carboximidamide

Formula

C12 H12 N2 S

Formal charge

0

Molecular weight

216.302 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1sc(cc1c2ccccc2)C(N)=N
SMILES OpenEye OEToolkits 2.0.7 Cc1c(cc(s1)C(=N)N)c2ccccc2
Canonical SMILES CACTVS 3.385 Cc1sc(cc1c2ccccc2)C(N)=N
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(/c1cc(c(s1)C)c2ccccc2)\N

IUPAC InChI

InChI=1S/C12H12N2S/c1-8-10(7-11(15-8)12(13)14)9-5-3-2-4-6-9/h2-7H,1H3,(H3,13,14)

IUPAC InChI key

HUQORXRDKCJHHJ-UHFFFAOYSA-N
LFQ

wwPDB Information

Atom count

27 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-13

Last modified at

2020-06-12

Status

Released

Obsoleted

Not Assigned