Synonyms: WY-47,846
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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7
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Hydrogen bond donors
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0
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Rotatable bonds
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6
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Topological polar surface area
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69.64
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Molecular weight
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419.23
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XLogP
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1.79
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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=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C2C1C1C=CC2C2C1C=C2
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Isomeric SMILES
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O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2[C@@H]2[C@H]1C=C2
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InChI
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InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2/t16-,17+,18-,19+,20-,21+
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InChI Key
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AERLHOTUXIJQFV-RCPZPFRWSA-N
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