General Information of the Compound
| Compound ID |
CP0489612
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| Compound Name |
6-methyl-N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H31N3O2S
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| Molecular Weight |
401.576
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| Canonical SMILES |
CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2CN(C)CCc12
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| InChI |
InChI=1S/C22H31N3O2S/c1-3-5-23-19(26)18-16-4-6-25(2)12-17(16)28-20(18)24-21(27)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,3-12H2,1-2H3,(H,23,26)(H,24,27)
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| InChIKey |
ORBXXIQKZFKULT-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