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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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10
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Topological polar surface area
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67.43
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Molecular weight
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380.21
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XLogP
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4.07
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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(NC(=O)C1(C)CC1C(c1ccccc1)NC(=O)OCc1ccccc1)C
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Isomeric SMILES
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CC(NC(=O)[C@@]1(C)C[C@@H]1[C@H](c1ccccc1)NC(=O)OCc1ccccc1)C
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InChI
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InChI=1S/C23H28N2O3/c1-16(2)24-21(26)23(3)14-19(23)20(18-12-8-5-9-13-18)25-22(27)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,27)/t19-,20+,23+/m1/s1
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InChI Key
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ONJDWAYKGBYQHM-QTEQDKRBSA-N
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