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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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8
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Hydrogen bond donors
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6
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Rotatable bonds
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10
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Topological polar surface area
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161.16
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Molecular weight
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469.18
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XLogP
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3.53
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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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OC(=O)CC(c1ccccc1)NC(=O)c1cccc(c1)NC(=O)c1cc2c([nH]1)ccc(c2)C(=N)N
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Isomeric SMILES
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OC(=O)CC(c1ccccc1)NC(=O)c1cccc(c1)NC(=O)c1cc2c([nH]1)ccc(c2)C(=N)N
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InChI
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InChI=1S/C26H23N5O4/c27-24(28)16-9-10-20-18(11-16)13-22(30-20)26(35)29-19-8-4-7-17(12-19)25(34)31-21(14-23(32)33)15-5-2-1-3-6-15/h1-13,21,30H,14H2,(H3,27,28)(H,29,35)(H,31,34)(H,32,33)
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InChI Key
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RVWSCZNGPOUASU-UHFFFAOYSA-N
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