Synonyms: EGIS-3886 | EGYT 3886 | EGYT-3886 | EGYT3886
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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0
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Rotatable bonds
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5
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Topological polar surface area
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12.47
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Molecular weight
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301.24
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XLogP
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4.57
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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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CN(CCOC1(CC2C(C1(C)CC2)(C)C)c1ccccc1)C
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Isomeric SMILES
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CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C
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InChI
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InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
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InChI Key
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QOBGWWQAMAPULA-RLLQIKCJSA-N
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