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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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12
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Hydrogen bond donors
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2
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Rotatable bonds
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18
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Topological polar surface area
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154.89
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Molecular weight
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637.32
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XLogP
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2.16
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCCC1C(=O)NC1CCC1)c1ccccc1
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Isomeric SMILES
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CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1
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InChI
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InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1
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InChI Key
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QCKRRHRHLONWIP-SANMLTNESA-N
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