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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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6
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Hydrogen bond donors
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4
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Rotatable bonds
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13
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Topological polar surface area
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103.09
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Molecular weight
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482.23
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XLogP
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4.24
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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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CC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)c1ccccc1
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Isomeric SMILES
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CC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)c1ccccc1
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InChI
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InChI=1S/C29H30N4O3/c1-20(32-28(35)22-12-6-3-7-13-22)27(34)33-26(18-23-19-31-25-15-9-8-14-24(23)25)29(36)30-17-16-21-10-4-2-5-11-21/h2-15,19-20,26,31H,16-18H2,1H3,(H,30,36)(H,32,35)(H,33,34)
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InChI Key
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OXMOOJYZUSQLNA-UHFFFAOYSA-N
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