General Information of the Compound
| Compound ID |
CP0388581
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| Compound Name |
N-[3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethoxy)quinolin-6-amine
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| Structure |
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| Formula |
C21H15ClF4N4O2
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| Molecular Weight |
466.822
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| Canonical SMILES |
Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1
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| InChI |
InChI=1S/C21H15ClF4N4O2/c22-17-10-13(23)3-5-16(17)20-29-19(32-30-20)2-1-7-27-14-4-6-18-12(8-14)9-15(11-28-18)31-21(24,25)26/h3-6,8-11,27H,1-2,7H2
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| InChIKey |
HBTYATWGNXKNSB-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: PT02190, Cannabinoid receptor 1
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2