General Information of the Compound
| Compound ID |
CP0446052
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| Compound Name |
ethyl 2-(naphthalen-1-ylsulfonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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| Structure |
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| Formula |
C21H21NO4S2
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| Molecular Weight |
415.536
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| Canonical SMILES |
CCOC(=O)c1c(NS(=O)(=O)c2cccc3ccccc23)sc2CCCCc12
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| InChI |
InChI=1S/C21H21NO4S2/c1-2-26-21(23)19-16-11-5-6-12-17(16)27-20(19)22-28(24,25)18-13-7-9-14-8-3-4-10-15(14)18/h3-4,7-10,13,22H,2,5-6,11-12H2,1H3
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| InChIKey |
JXXNYILRKWQKIS-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2