General Information of the Compound
| Compound ID |
CP0484087
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| Compound Name |
US9181219, 2-[(5-bromopyridin-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 |
C17H17BrN2OS
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| Molecular Weight |
377.307
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| Canonical SMILES |
Cc1cccc2CCCN(C(=O)CSc3ccc(Br)cn3)c12
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| InChI |
InChI=1S/C17H17BrN2OS/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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| InChIKey |
LSYTUCWNIYPFDN-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