cyclothiazide   Click here for help

GtoPdb Ligand ID: 4167

Synonyms: Anhydron® | Aquirel®
Approved drug
cyclothiazide is an approved drug
Compound class: Synthetic organic
Comment: Cyclothiazide functions primarily as an inhibior of the sodium-chloride symporter (SLC12A3) in distal convoluted tubules.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 135.12
Molecular weight 389.03
XLogP 1.59
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2
Isomeric SMILES Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2
InChI InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
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Molecular structure representations generated using Open Babel