General Information of the Compound
| Compound ID |
CP0115565
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| Compound Name |
4-(3'-(ethylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
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| Structure |
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| Formula |
C24H18F3NO2S
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| Molecular Weight |
441.474
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| Canonical SMILES |
CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1ccnc2c(cccc12)C(F)(F)F
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| InChI |
InChI=1S/C24H18F3NO2S/c1-2-31(29,30)19-9-4-7-17(15-19)16-6-3-8-18(14-16)20-12-13-28-23-21(20)10-5-11-22(23)24(25,26)27/h3-15H,2H2,1H3
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| InChIKey |
VJEBBKVWKHODQJ-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