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LX7 : Summary

Code

LX7

One-letter code

X

Molecule name

1-[4-(trifluoromethyloxy)phenyl]thiourea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-[4-(trifluoromethyloxy)phenyl]thiourea

Formula

C8 H7 F3 N2 O S

Formal charge

0

Molecular weight

236.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=S)Nc1ccc(OC(F)(F)F)cc1
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1NC(=S)N)OC(F)(F)F
Canonical SMILES CACTVS 3.385 NC(=S)Nc1ccc(OC(F)(F)F)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1NC(=S)N)OC(F)(F)F

IUPAC InChI

InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)

IUPAC InChI key

UCOXNOVULREFCO-UHFFFAOYSA-N
LX7

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-15

Last modified at

2020-04-24

Status

Released

Obsoleted

Not Assigned