General Information of the Compound
| Compound ID |
CP0381990
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| Compound Name |
ethyl (E)-3-[5-(cycloheptylcarbamoyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridin-3-yl]prop-2-enoate
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| Structure |
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| Formula |
C25H29FN2O4
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| Molecular Weight |
440.515
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| Canonical SMILES |
CCOC(=O)\C=C\c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1
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| InChI |
InChI=1S/C25H29FN2O4/c1-2-32-23(29)14-11-19-15-22(24(30)27-21-7-5-3-4-6-8-21)25(31)28(17-19)16-18-9-12-20(26)13-10-18/h9-15,17,21H,2-8,16H2,1H3,(H,27,30)/b14-11+
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| InChIKey |
OKJLMFTYQUGUGK-SDNWHVSQSA-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