General Information of the Compound
| Compound ID |
CP0475786
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| Compound Name |
(-)-1-[(1R,2S,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8-diazabicyclo-[3.2.2]nonan-8-yl]-2-(3,4-dichlorophenyl)ethanone
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| Structure |
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| Formula |
C26H31Cl2N3O
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| Molecular Weight |
472.46
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| Canonical SMILES |
Clc1ccc(CC(=O)N2C[C@@H]3CC[C@@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl
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| InChI |
InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24-,25+/m0/s1
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| InChIKey |
PTOAIOGDLYUSHV-GVXSCFBNSA-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