General Information of the Compound
| Compound ID |
CP0479295
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| Compound Name |
ethyl 3-[(1S,5R,9R)-5-(3-hydroxyphenyl)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-9-yl]propanoate
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| Formula |
C27H35NO3
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| Molecular Weight |
421.581
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| Canonical SMILES |
CCOC(=O)CC[C@H]1[C@@H]2CCC[C@]1(CCN2CCc1ccccc1)c1cccc(O)c1
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| InChI |
InChI=1S/C27H35NO3/c1-2-31-26(30)14-13-24-25-12-7-16-27(24,22-10-6-11-23(29)20-22)17-19-28(25)18-15-21-8-4-3-5-9-21/h3-6,8-11,20,24-25,29H,2,7,12-19H2,1H3/t24-,25-,27-/m0/s1
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| InChIKey |
XHAHHMALYFEUTK-KLJDGLGGSA-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