General Information of the Compound
| Compound ID |
CP0920612
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| Compound Name |
5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamido)-1,2-dimethylpyridinium iodide
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| Structure |
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| Formula |
C24H20Cl3IN4O
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| Molecular Weight |
613.714
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| Canonical SMILES |
Cc1c(C(=O)Nc2ccc(C)[n+](C)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.[I-]
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| InChI |
InChI=1S/C24H19Cl3N4O.HI/c1-14-4-10-19(13-30(14)3)28-24(32)22-15(2)23(16-5-7-17(25)8-6-16)31(29-22)21-11-9-18(26)12-20(21)27;/h4-13H,1-3H3;1H
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| InChIKey |
UOOIATGLUVHGIW-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