General Information of the Compound
| Compound ID |
CP0396316
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| Compound Name |
5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
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| Structure |
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| Formula |
C27H28BrFN2O3
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| Molecular Weight |
527.434
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| Canonical SMILES |
COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
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| InChI |
InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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| InChIKey |
MJXAKHLEXLHOOP-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
Protein ID: PT01099, Fatty-acid amide hydrolase 1
Protein ID: PT06316, Lysophosphatidylserine lipase ABHD12
Protein ID: PT02720, Monoacylglycerol lipase ABHD6
Protein ID: PT01782, Monoglyceride lipase