General Information of the Compound
| Compound ID |
CP0454680
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| Compound Name |
(4-methoxyphenyl)-(2-pentyl-1-benzothiophen-3-yl)methanone
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| Structure |
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| Formula |
C21H22O2S
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| Molecular Weight |
338.472
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| Canonical SMILES |
CCCCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C21H22O2S/c1-3-4-5-10-19-20(17-8-6-7-9-18(17)24-19)21(22)15-11-13-16(23-2)14-12-15/h6-9,11-14H,3-5,10H2,1-2H3
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| InChIKey |
GGJMSWYYQFRHNN-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