General Information of the Compound
| Compound ID |
CP0395642
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| Compound Name |
ethyl 4-[3-(cycloheptylcarbamoyl)-2-oxopyridin-1-yl]butanoate
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| Structure |
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| Formula |
C19H28N2O4
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| Molecular Weight |
348.443
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| Canonical SMILES |
CCOC(=O)CCCn1cccc(C(=O)NC2CCCCCC2)c1=O
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| InChI |
InChI=1S/C19H28N2O4/c1-2-25-17(22)12-8-14-21-13-7-11-16(19(21)24)18(23)20-15-9-5-3-4-6-10-15/h7,11,13,15H,2-6,8-10,12,14H2,1H3,(H,20,23)
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| InChIKey |
LRDHSGYXMWOQNJ-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