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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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4
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Topological polar surface area
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66.49
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Molecular weight
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350.17
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XLogP
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2.13
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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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O=C(Nc1ccccc1)Nc1cnc2c(c1)CC1(O2)CN2CCC1CC2
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Isomeric SMILES
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O=C(Nc1ccccc1)Nc1cnc2c(c1)C[C@]1(O2)CN2CC[C@H]1CC2
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InChI
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InChI=1S/C20H22N4O2/c25-19(22-16-4-2-1-3-5-16)23-17-10-14-11-20(26-18(14)21-12-17)13-24-8-6-15(20)7-9-24/h1-5,10,12,15H,6-9,11,13H2,(H2,22,23,25)/t20-/m0/s1
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InChI Key
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BUOWEYLLAFLKCW-FQEVSTJZSA-N
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