General Information of the Compound
| Compound ID |
CP0443539
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| Compound Name |
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
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| Structure |
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| Formula |
C27H29FN2O3
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| Molecular Weight |
448.538
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C27H29FN2O3/c1-33-24-14-10-20(11-15-24)21-16-25(26(31)29-23-6-4-2-3-5-7-23)27(32)30(18-21)17-19-8-12-22(28)13-9-19/h8-16,18,23H,2-7,17H2,1H3,(H,29,31)
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| InChIKey |
LBHFUMXOUHHRRX-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