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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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1
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Rotatable bonds
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8
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Topological polar surface area
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62.61
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Molecular weight
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483.22
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XLogP
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3.53
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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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N#Cc1ccc2c(c1)CC(CC2)N(C(=O)Nc1ccc(c(c1)Cl)F)CCCN1CCN(CC1)C
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Isomeric SMILES
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N#Cc1ccc2c(c1)CC(CC2)N(C(=O)Nc1ccc(c(c1)Cl)F)CCCN1CCN(CC1)C
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InChI
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InChI=1S/C26H31ClFN5O/c1-31-11-13-32(14-12-31)9-2-10-33(26(34)30-22-6-8-25(28)24(27)17-22)23-7-5-20-4-3-19(18-29)15-21(20)16-23/h3-4,6,8,15,17,23H,2,5,7,9-14,16H2,1H3,(H,30,34)
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InChI Key
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GQGGDNLJDZHJKN-UHFFFAOYSA-N
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