General Information of the Compound
| Compound ID |
CP0437701
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| Compound Name |
2-(4,5-bis(2,4-dichlorophenyl)-2H-1,2,3-triazol-2-yl)-1-(piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C21H18Cl4N4O
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| Molecular Weight |
484.214
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| Canonical SMILES |
Clc1ccc(-c2nn(CC(=O)N3CCCCC3)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H18Cl4N4O/c22-13-4-6-15(17(24)10-13)20-21(16-7-5-14(23)11-18(16)25)27-29(26-20)12-19(30)28-8-2-1-3-9-28/h4-7,10-11H,1-3,8-9,12H2
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| InChIKey |
XTLDZHVEQHHQBL-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