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LM10

CAT: 0013-GTR19259691-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259691-01Size:100 mg
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Description
LM10 is a potent inhibitor of tryptophan 2,3-dioxygenase (TDO) . Tryptophan 2,3-dioxygenase (TDO) is an unrelated hepatic enzyme that also degrades tryptophan along the kynurenine pathway. LM10 has the potential for the research of cancer diseases.
CAS Number
1316695-35-8
Purity
>98%
Smiles
FC1C=CC2C (/C=C/C3N=NNN=3) =CNC=2C=1
Molecular Formula
C11H8FN5
Molecular Weight
229.213124275208
Notes
For research use only.

Chemical Information

(E)-3-(2-(1H-Tetrazol-5-YL)vinyl)-6-fluoro-1H-indole
CAS Number1316695-35-8
PubChem CID135743630
IUPAC Name6-fluoro-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
Molecular FormulaC11H8FN5
Molecular Weight229.21
XLogP2
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity298
SMILES
C1=CC2=C(C=C1F)NC=C2/C=C/C3=NNN=N3
InChI
InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+
InChIKey
JDBSZVDIUIRSDG-DAFODLJHSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(2-(1H-Tetrazol-5-YL)vinyl)-6-fluoro-1H-indole
CAS: 1316695-35-8
CID: 135743630
Formula: C11H8FN5
MW: 229.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.21
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass229.07637344
Monoisotopic Mass229.07637344
Topological Polar Surface Area70.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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