General Information of the Compound
| Compound ID |
CP0386993
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| Compound Name |
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
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| Structure |
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| Formula |
C18H22N2O3
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| Molecular Weight |
314.385
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| Canonical SMILES |
COC(=O)c1cccnc1NC(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H22N2O3/c1-23-16(21)14-3-2-4-19-15(14)20-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h2-4,11-13H,5-10H2,1H3,(H,19,20,22)
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| InChIKey |
XAMBBFTVEHPZSB-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