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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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84.34
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Molecular weight
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425.17
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XLogP
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2.94
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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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OC(=O)C(Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1
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Isomeric SMILES
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OC(=O)[C@@H](Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1
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InChI
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InChI=1S/C26H23N3O3/c30-26(31)24(15-19-7-3-1-4-8-19)29-25-16-23(27-18-28-25)21-11-13-22(14-12-21)32-17-20-9-5-2-6-10-20/h1-14,16,18,24H,15,17H2,(H,30,31)(H,27,28,29)/t24-/m0/s1
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InChI Key
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RRYFPNITZGCUPZ-DEOSSOPVSA-N
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