General Information of the Compound
| Compound ID |
CP0379008
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| Compound Name |
3-(4-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)butyl)quinoline
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| Structure |
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| Formula |
C21H17ClFN3O
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| Molecular Weight |
381.838
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| Canonical SMILES |
Fc1ccc(-c2noc(CCCCc3ccc4ncccc4c3)n2)c(Cl)c1
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| InChI |
InChI=1S/C21H17ClFN3O/c22-18-13-16(23)8-9-17(18)21-25-20(27-26-21)6-2-1-4-14-7-10-19-15(12-14)5-3-11-24-19/h3,5,7-13H,1-2,4,6H2
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| InChIKey |
FSUSWHJMGXMKBV-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2