General Information of the Compound
| Compound ID |
CP0400705
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| Compound Name |
N-[3-(3,3-difluoroazetidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
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| Structure |
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| Formula |
C21H24F2N2O3S
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| Molecular Weight |
422.497
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| Canonical SMILES |
FC1(F)CN(C1)C(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2COCCc12
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| InChI |
InChI=1S/C21H24F2N2O3S/c22-21(23)9-25(10-21)18(26)16-14-1-2-28-8-15(14)29-17(16)24-19(27)20-6-11-3-12(7-20)5-13(20)4-11/h11-13H,1-10H2,(H,24,27)
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| InChIKey |
QBAHXZGQJNUJOJ-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: PT02190, Cannabinoid receptor 1
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2