General Information of the Compound
| Compound ID |
CP0521633
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| Compound Name |
US9181219, 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethan-1-one
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| Structure |
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| Formula |
C17H15F3N2OS
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| Molecular Weight |
352.381
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| Canonical SMILES |
FC(F)(F)c1ccc(SCC(=O)N2CCCc3ccccc23)nc1
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| InChI |
InChI=1S/C17H15F3N2OS/c18-17(19,20)13-7-8-15(21-10-13)24-11-16(23)22-9-3-5-12-4-1-2-6-14(12)22/h1-2,4,6-8,10H,3,5,9,11H2
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| InChIKey |
MLUNKIGCWNPKQH-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