General Information of the Compound
| Compound ID |
CP0440707
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| Compound Name |
1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-ethyl-5-pyrrol-1-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H18Cl4N4O
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| Molecular Weight |
508.236
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| Canonical SMILES |
CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H18Cl4N4O/c1-2-16-21(22(32)28-13-14-5-7-17(24)19(26)11-14)29-31(23(16)30-9-3-4-10-30)15-6-8-18(25)20(27)12-15/h3-12H,2,13H2,1H3,(H,28,32)
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| InChIKey |
PHPXNMDZABDTFM-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