Comment: Partially selective GC-B (NPR-B) antagonist that mediates a strong reduction of the maximum cGMP production and no changes of the EC50 values for CNP
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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1
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Rotatable bonds
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3
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Topological polar surface area
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15.27
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Molecular weight
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286.12
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XLogP
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3.37
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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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Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1
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Isomeric SMILES
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Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1
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InChI
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InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
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InChI Key
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UZKBSZSTDQSMDR-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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