General Information of the Compound
| Compound ID |
CP0458672
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| Compound Name |
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-5-[(E)-2-phenylethenyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C28H29FN2O2
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| Molecular Weight |
444.55
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| Canonical SMILES |
Fc1ccc(Cn2cc(\C=C\c3ccccc3)cc(C(=O)NC3CCCCCC3)c2=O)cc1
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| InChI |
InChI=1S/C28H29FN2O2/c29-24-16-14-22(15-17-24)19-31-20-23(13-12-21-8-4-3-5-9-21)18-26(28(31)33)27(32)30-25-10-6-1-2-7-11-25/h3-5,8-9,12-18,20,25H,1-2,6-7,10-11,19H2,(H,30,32)/b13-12+
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| InChIKey |
UQOABWCUOKYECD-OUKQBFOZSA-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