General Information of the Compound
| Compound ID |
CP0527080
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| Compound Name |
1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-Nhexyl-4-methyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H28F2N4O
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| Molecular Weight |
414.5
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| Canonical SMILES |
CCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C23H28F2N4O/c1-5-6-7-8-13-26-22(30)21-17(4)23(28-15(2)9-10-16(28)3)29(27-21)20-12-11-18(24)14-19(20)25/h9-12,14H,5-8,13H2,1-4H3,(H,26,30)
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| InChIKey |
UXFOBTSZLFVGIK-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