General Information of the Compound
| Compound ID |
CP0469090
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| Compound Name |
(1R,5S,9S)-5-(3-hydroxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-ol
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| Formula |
C22H27NO2
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| Molecular Weight |
337.463
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| Canonical SMILES |
O[C@@H]1[C@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1
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| InChI |
InChI=1S/C22H27NO2/c24-19-9-4-8-18(16-19)22-12-5-10-20(21(22)25)23(15-13-22)14-11-17-6-2-1-3-7-17/h1-4,6-9,16,20-21,24-25H,5,10-15H2/t20-,21-,22+/m1/s1
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| InChIKey |
YJDWRJHIVSZYJV-VSKRKVRLSA-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