General Information of the Compound
| Compound ID |
CP0469092
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| Compound Name |
methyl 3-[(1S,5R,9R)-5-(3-hydroxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-yl]propanoate
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| Formula |
C26H33NO3
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| Molecular Weight |
407.554
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| Canonical SMILES |
COC(=O)CC[C@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1
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| InChI |
InChI=1S/C26H33NO3/c1-30-25(29)13-12-23-24-11-6-15-26(23,21-9-5-10-22(28)19-21)16-18-27(24)17-14-20-7-3-2-4-8-20/h2-5,7-10,19,23-24,28H,6,11-18H2,1H3/t23-,24-,26-/m0/s1
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| InChIKey |
NIGWAKMPTZHINX-GNKBHMEESA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor