General Information of the Compound
Compound ID |
CP0467704
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Compound Name |
ethyl 2-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-yl]oxyacetate
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Structure |
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Formula |
C32H30Cl2F3N3O5S
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Molecular Weight |
696.575
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Canonical SMILES |
CCOC(=O)COc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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InChI |
InChI=1S/C32H30Cl2F3N3O5S/c1-2-44-29(41)19-45-28-18-22(30(20-3-7-23(33)8-4-20)21-5-9-24(34)10-6-21)17-26-27(11-14-38-31(26)28)39-25-12-15-40(16-13-25)46(42,43)32(35,36)37/h3-11,14,17-18,25,30H,2,12-13,15-16,19H2,1H3,(H,38,39)
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InChIKey |
HGLRGRJMMRGBOP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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