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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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7
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Hydrogen bond donors
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0
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Rotatable bonds
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7
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Topological polar surface area
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133.1
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Molecular weight
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474.16
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XLogP
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3.31
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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O=C(N1CCC(CC1)Oc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C
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Isomeric SMILES
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O=C(N1CCC(CC1)Oc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C
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InChI
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InChI=1S/C22H26N4O6S/c1-22(2,3)31-21(27)26-11-9-15(10-12-26)30-20-19-18(23-13-24-20)17(25-32-19)14-5-7-16(8-6-14)33(4,28)29/h5-8,13,15H,9-12H2,1-4H3
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InChI Key
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JYRWUSXRTGACLY-UHFFFAOYSA-N
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