General Information of the Compound
| Compound ID |
CP0419054
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| Compound Name |
5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H22Cl4N4O
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| Molecular Weight |
512.268
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C23H22Cl4N4O/c1-13-10-15(24)6-7-17(13)21-14(2)20(23(32)29-30-8-4-3-5-9-30)28-31(21)22-18(26)11-16(25)12-19(22)27/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,29,32)
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| InChIKey |
QPEHOCICIVWIMK-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