General Information of the Compound
| Compound ID |
CP0094482
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| Compound Name |
1-(3,4-dimethoxyphenethyl)-4-(3-phenylpropyl)piperazine
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| Synonyms |
AGY-94806
Cutamesine
Msc-1
SA-4502
SA-4503
Sigma opioid receptor agonist, Santen
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| Structure |
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| Formula |
C23H32N2O2
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| Molecular Weight |
368.521
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| Canonical SMILES |
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
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| InChI |
InChI=1S/C23H32N2O2/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3
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| InChIKey |
UVSWWUWQVAQPJR-UHFFFAOYSA-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: PT01509, Sigma non-opioid intracellular receptor 1
Protein ID: PT05156, Vesicular acetylcholine transporter
Clinical Information about the Compound