General Information of the Compound
| Compound ID |
CP0453829
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| Compound Name |
N-(4-chlorophenyl)-1-(2,4-difluorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H15ClF2N4O
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| Molecular Weight |
412.827
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| Canonical SMILES |
Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H15ClF2N4O/c1-13-19(20(29)25-16-7-4-14(22)5-8-16)26-28(21(13)27-10-2-3-11-27)18-9-6-15(23)12-17(18)24/h2-12H,1H3,(H,25,29)
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| InChIKey |
IICJGABWSSVDPO-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