General Information of the Compound
| Compound ID |
CP0421945
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| Compound Name |
3-(4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-5,6,7,8-tetrahydroquinoline
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| Structure |
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| Formula |
C22H22ClFN4O
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| Molecular Weight |
412.896
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| Canonical SMILES |
Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3CCCCc3c2)c(Cl)c1
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| InChI |
InChI=1S/C22H22ClFN4O/c23-19-12-16(24)5-6-18(19)21-26-22(29-27-21)14-7-9-28(10-8-14)17-11-15-3-1-2-4-20(15)25-13-17/h5-6,11-14H,1-4,7-10H2
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| InChIKey |
PMUGVWSYIKXQQJ-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