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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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5
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Hydrogen bond donors
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2
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Rotatable bonds
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9
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Topological polar surface area
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79.9
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Molecular weight
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445.2
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XLogP
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5.91
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No. Lipinski's rules broken
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1
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OC
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Isomeric SMILES
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CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OC
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InChI
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InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)
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InChI Key
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XORVAHQXRDLSFT-UHFFFAOYSA-N
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