General Information of the Compound
| Compound ID |
CP0490772
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| Compound Name |
US9181219, 2-[(4,5-dimethylpyridin-2-yl)sulfanyl]-1-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
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| Structure |
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| Formula |
C19H22N2OS
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| Molecular Weight |
326.465
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| Canonical SMILES |
Cc1cnc(SCC(=O)N2CCCc3cccc(C)c23)cc1C
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| InChI |
InChI=1S/C19H22N2OS/c1-13-6-4-7-16-8-5-9-21(19(13)16)18(22)12-23-17-10-14(2)15(3)11-20-17/h4,6-7,10-11H,5,8-9,12H2,1-3H3
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| InChIKey |
KTHJQHSQBKPZKR-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