General Information of the Compound
| Compound ID |
CP0472821
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| Compound Name |
[1-[(3S,4S)-1-benzyl-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2ccccc2)C[C@@H]1O
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| InChI |
InChI=1S/C25H32N2O3/c1-30-22-9-7-20(8-10-22)25(29)21-11-15-27(16-12-21)23-13-14-26(18-24(23)28)17-19-5-3-2-4-6-19/h2-10,21,23-24,28H,11-18H2,1H3/t23-,24-/m0/s1
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| InChIKey |
KUFTUVFIQNYLQT-ZEQRLZLVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound