General Information of the Compound
| Compound ID |
CP0515477
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| Compound Name |
US9181219, 2-[(3-chloropyridin-2-yl)sulfanyl]-1-(8-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
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| Structure |
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| Formula |
C17H17ClN2O2S
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| Molecular Weight |
348.855
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| Canonical SMILES |
COc1cccc2CCCN(C(=O)CSc3ncccc3Cl)c12
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| InChI |
InChI=1S/C17H17ClN2O2S/c1-22-14-8-2-5-12-6-4-10-20(16(12)14)15(21)11-23-17-13(18)7-3-9-19-17/h2-3,5,7-9H,4,6,10-11H2,1H3
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| InChIKey |
RCQANPHBEVONMT-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