General Information of the Compound
| Compound ID |
CP0452882
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| Compound Name |
2-(2',6'-dimethylbiphenyl-2-ylthio)-N,N-dimethylethanamine
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| Structure |
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| Formula |
C18H23NS
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| Molecular Weight |
285.456
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| Canonical SMILES |
CN(C)CCSc1ccccc1-c1c(C)cccc1C
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| InChI |
InChI=1S/C18H23NS/c1-14-8-7-9-15(2)18(14)16-10-5-6-11-17(16)20-13-12-19(3)4/h5-11H,12-13H2,1-4H3
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| InChIKey |
BMQNAZCGAAXTPA-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