General Information of the Compound
| Compound ID |
CP0373943
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| Compound Name |
5-(2,4-Dichlorophenyl)-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 |
C22H19Cl5N4O
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| Molecular Weight |
532.686
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1Cl)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C22H19Cl5N4O/c1-12-19(22(32)29-30-7-3-2-4-8-30)28-31(21-17(26)10-14(24)11-18(21)27)20(12)15-6-5-13(23)9-16(15)25/h5-6,9-11H,2-4,7-8H2,1H3,(H,29,32)
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| InChIKey |
DRSVDVXAHLCBSY-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