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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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1
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Rotatable bonds
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7
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Topological polar surface area
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100.94
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Molecular weight
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431.18
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XLogP
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4.89
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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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CCCc1cccc(n1)c1c(snc1c1ccc2c(c1)cn(n2)C)NC(=O)C1CC1C
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Isomeric SMILES
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CCCc1cccc(n1)c1c(snc1c1ccc2c(c1)cn(n2)C)NC(=O)[C@@H]1C[C@H]1C
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InChI
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InChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)/t14-,18-/m1/s1
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InChI Key
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DMJNZMXZSQWBRT-RDTXWAMCSA-N
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