General Information of the Compound
| Compound ID |
CP0443425
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| Compound Name |
7-bromo-N-[(3,4-dichlorophenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
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| Structure |
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| Formula |
C22H21BrCl2N2O2
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| Molecular Weight |
496.232
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| Canonical SMILES |
CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(Br)cc12
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| InChI |
InChI=1S/C22H21BrCl2N2O2/c1-2-3-4-9-27-13-17(21(28)16-7-6-15(23)11-20(16)27)22(29)26-12-14-5-8-18(24)19(25)10-14/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,26,29)
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| InChIKey |
UMKFVXMUJDDMEO-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