General Information of the Compound
| Compound ID |
CP0458144
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| Compound Name |
(4-methoxyphenyl)-[2-(2-methylpropyl)-1-benzothiophen-3-yl]methanone
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| Structure |
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| Formula |
C20H20O2S
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| Molecular Weight |
324.445
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1c(CC(C)C)sc2ccccc12
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| InChI |
InChI=1S/C20H20O2S/c1-13(2)12-18-19(16-6-4-5-7-17(16)23-18)20(21)14-8-10-15(22-3)11-9-14/h4-11,13H,12H2,1-3H3
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| InChIKey |
NUKDGSLJWZKBDN-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