General Information of the Compound
| Compound ID |
CP0432505
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| Compound Name |
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-[4-(5-phenylpentyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C26H37N3O2
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| Molecular Weight |
423.601
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCCCc2ccccc2)CC1
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| InChI |
InChI=1S/C26H37N3O2/c1-20-17-23(30)18-21(2)24(20)19-25(27)26(31)29-15-13-28(14-16-29)12-8-4-7-11-22-9-5-3-6-10-22/h3,5-6,9-10,17-18,25,30H,4,7-8,11-16,19,27H2,1-2H3/t25-/m0/s1
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| InChIKey |
MKQISTQPDCMIKE-VWLOTQADSA-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