General Information of the Compound
| Compound ID |
CP0470601
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| Compound Name |
(1R,5R,9S)-5-(3-hydroxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-2-azabicyclo[3.3.1]nonan-9-ol;hydrochloride
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| Structure |
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| Formula |
C23H27ClF3NO2
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| Molecular Weight |
441.921
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| Canonical SMILES |
Cl.O[C@@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccc(cc1)C(F)(F)F)c1cccc(O)c1
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| InChI |
InChI=1S/C23H26F3NO2.ClH/c24-23(25,26)17-8-6-16(7-9-17)10-13-27-14-12-22(11-2-5-20(27)21(22)29)18-3-1-4-19(28)15-18;/h1,3-4,6-9,15,20-21,28-29H,2,5,10-14H2;1H/t20-,21-,22-;/m1./s1
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| InChIKey |
AKBZSAUQISOIGO-AFYLVLOISA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor