General Information of the Compound
| Compound ID |
CP0524519
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| Compound Name |
8-butoxy-N-[2-(4-fluorophenyl)ethyl]-7-methoxy-6-nitro-2-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C23H24FN3O6
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| Molecular Weight |
457.458
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| Canonical SMILES |
CCCCOc1c(OC)c(cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12)[N+]([O-])=O
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| InChI |
InChI=1S/C23H24FN3O6/c1-3-4-11-33-21-19-15(13-18(27(30)31)20(21)32-2)12-17(23(29)26-19)22(28)25-10-9-14-5-7-16(24)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,25,28)(H,26,29)
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| InChIKey |
LIFKXJIIMHZEDS-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