TIM-38   Click here for help

GtoPdb Ligand ID: 11452

Synonyms: TIM38
Compound class: Synthetic organic
Comment: TIM-38 is a P2Y6 receptor selective antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 52.37
Molecular weight 245.03
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F
Isomeric SMILES [O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F
InChI InChI=1S/C10H6F3NO3/c11-10(12,13)9-7(14(15)16)5-6-3-1-2-4-8(6)17-9/h1-5,9H
InChI Key BGTJUOYBNMSGRC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-nitro-2-(trifluoromethyl)-2H-chromene
Synonyms Click here for help
TIM38
Database Links Click here for help
GtoPdb PubChem SID 440816821
PubChem CID 16762479
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