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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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15
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Hydrogen bond donors
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5
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Rotatable bonds
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8
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Topological polar surface area
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268.1
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Molecular weight
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475.01
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XLogP
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-3.9
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No. Lipinski's rules broken
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1
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SMILES / InChI / InChIKey
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Canonical SMILES
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Nc1ncnc2c1ncn2C1CCC(O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
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Isomeric SMILES
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Nc1ncnc2c1ncn2[C@H]1CC[C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
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InChI
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InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
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InChI Key
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OAKPWEUQDVLTCN-NKWVEPMBSA-N
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