General Information of the Compound
| Compound ID |
CP0377406
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| Compound Name |
methyl 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylacetate
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
COC(=O)C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C20H23NO3/c1-24-19(22)18(16-8-4-2-5-9-16)21-14-12-20(23,13-15-21)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
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| InChIKey |
QESUWOVHACTYFJ-UHFFFAOYSA-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
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor