General Information of the Compound
Compound ID |
CP0376687
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Compound Name |
1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(3,3-dimethylbutyl)-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 |
Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCC(C)(C)C
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InChI |
InChI=1S/C23H28F2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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InChIKey |
BDEOVMZDXDAANU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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