General Information of the Compound
| Compound ID |
CP0400703
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| Compound Name |
2-(2-oxatricyclo[3.3.1.13,7]decane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
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| Structure |
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| Formula |
C21H28N2O4S
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| Molecular Weight |
404.532
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| Canonical SMILES |
CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)O2)C3)sc2COCCc12
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| InChI |
InChI=1S/C21H28N2O4S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)28-19(17)23-20(25)21-9-12-6-13(10-21)8-14(7-12)27-21/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)
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| InChIKey |
KOMAIRDUAOWCFK-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
Protein ID: PT02333, Cannabinoid receptor 2