General Information of the Compound
| Compound ID |
CP0381993
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| Compound Name |
5-bromo-N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
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| Structure |
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| Formula |
C20H22BrFN2O2
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| Molecular Weight |
421.31
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| Canonical SMILES |
Fc1ccc(Cn2cc(Br)cc(C(=O)NC3CCCCCC3)c2=O)cc1
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| InChI |
InChI=1S/C20H22BrFN2O2/c21-15-11-18(19(25)23-17-5-3-1-2-4-6-17)20(26)24(13-15)12-14-7-9-16(22)10-8-14/h7-11,13,17H,1-6,12H2,(H,23,25)
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| InChIKey |
VRYXNVNTWFHKHF-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