General Information of the Compound
| Compound ID |
CP0496490
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| Compound Name |
2-[2-(2,4,6-Trimethyl-phenoxy)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amide
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| Structure |
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| Formula |
C24H30N2O5S2
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| Molecular Weight |
490.647
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| Canonical SMILES |
Cc1cc(C)c(OCC(=O)Nc2sc3CCCCc3c2C(=O)NC2CCS(=O)(=O)C2)c(C)c1
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| InChI |
InChI=1S/C24H30N2O5S2/c1-14-10-15(2)22(16(3)11-14)31-12-20(27)26-24-21(18-6-4-5-7-19(18)32-24)23(28)25-17-8-9-33(29,30)13-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,25,28)(H,26,27)
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| InChIKey |
YGEAEJNUKIWJMJ-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