General Information of the Compound
| Compound ID |
CP0439822
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| Compound Name |
N-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-yl]quinolin-3-amine
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| Structure |
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| Formula |
C22H20ClFN4O
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| Molecular Weight |
410.88
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| Canonical SMILES |
CC(C)(CCc1nc(no1)-c1ccc(F)cc1Cl)Nc1cnc2ccccc2c1
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| InChI |
InChI=1S/C22H20ClFN4O/c1-22(2,27-16-11-14-5-3-4-6-19(14)25-13-16)10-9-20-26-21(28-29-20)17-8-7-15(24)12-18(17)23/h3-8,11-13,27H,9-10H2,1-2H3
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| InChIKey |
PKAIHLUGFFKSDM-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