TTFB   Click here for help

GtoPdb Ligand ID: 12563

Compound class: Synthetic organic
Comment: TTFB is a negative allosteric modulator of ZAC ion channel activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 66.76
Molecular weight 278.35
XLogP 1.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC=CC(=C2)F
Isomeric SMILES CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=CC=C2)F
InChI InChI=1S/C14H15FN2OS/c1-14(2,3)11-8-19-13(16-11)17-12(18)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H,16,17,18)
InChI Key YTTAGQBQBWNSSS-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel