General Information of the Compound
| Compound ID |
CP0552077
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| Compound Name |
3-[(1R,5S,9S)-9-(3-hydroxypropyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
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| Formula |
C25H33NO2
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| Molecular Weight |
379.544
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| Canonical SMILES |
OCCC[C@@H]1[C@H]2CCC[C@@]1(CCN2CCc1ccccc1)c1cccc(O)c1
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| InChI |
InChI=1S/C25H33NO2/c27-18-6-11-23-24-12-5-14-25(23,21-9-4-10-22(28)19-21)15-17-26(24)16-13-20-7-2-1-3-8-20/h1-4,7-10,19,23-24,27-28H,5-6,11-18H2/t23-,24-,25-/m1/s1
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| InChIKey |
BRGBSNFNWHEGOM-UBFVSLLYSA-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