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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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6
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Topological polar surface area
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69.64
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Molecular weight
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390.19
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XLogP
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5.3
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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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OC1=C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N(C1)Cc1ccccc1
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Isomeric SMILES
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OC1=C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N(C1)Cc1ccccc1
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InChI
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InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,27H,2,5-6,9-10,15-16H2,(H,25,28)
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InChI Key
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JKRIQNNJCFTRAF-UHFFFAOYSA-N
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