General Information of the Compound
| Compound ID |
CP0432508
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| Compound Name |
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-[4-[(E)-3-naphthalen-1-ylprop-2-enyl]piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C28H33N3O2
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| Molecular Weight |
443.591
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(C\C=C\c2cccc3ccccc23)CC1
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| InChI |
InChI=1S/C28H33N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-11,17-18,27,32H,12-16,19,29H2,1-2H3/b10-6+/t27-/m0/s1
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| InChIKey |
XQBMIUYKELQWJM-FJEQHEBYSA-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