General Information of the Compound
| Compound ID |
CP0491074
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| Compound Name |
US9422235, 10
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| Structure |
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| Formula |
C17H17Cl2F3N2O2S
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| Molecular Weight |
441.302
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| Canonical SMILES |
CCCCNS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
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| InChI |
InChI=1S/C17H17Cl2F3N2O2S/c1-2-3-8-23-27(25,26)16-7-5-12(10-13(16)17(20,21)22)24-15-6-4-11(18)9-14(15)19/h4-7,9-10,23-24H,2-3,8H2,1H3
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| InChIKey |
QKWDCSZLOCAHKT-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