General Information of the Compound
| Compound ID |
CP0372735
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| Compound Name |
5-(2,5-dimethyl-1H-pyrrol-1-yl)-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 |
C22H24Cl3N5O
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| Molecular Weight |
480.827
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| Canonical SMILES |
Cc1ccc(C)n1-c1c(C)c(nn1-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C22H24Cl3N5O/c1-13-7-8-14(2)29(13)22-15(3)19(21(31)27-28-9-5-4-6-10-28)26-30(22)20-17(24)11-16(23)12-18(20)25/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,27,31)
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| InChIKey |
JMCHMHBQWJRNCS-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