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
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3
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Hydrogen bond donors
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1
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Rotatable bonds
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4
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Topological polar surface area
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66.76
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Molecular weight
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278.35
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XLogP
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1.69
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No. Lipinski's rules broken
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0
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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SMILES / InChI / InChIKey
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Canonical SMILES
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CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC=CC(=C2)F
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Isomeric SMILES
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CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC(=CC=C2)F
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InChI
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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)
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InChI Key
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YTTAGQBQBWNSSS-UHFFFAOYSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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