General Information of the Compound
| Compound ID |
CP0107208
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| Compound Name |
4-(3'-(ethylsulfonyl)biphenyl-3-yl)-3-methyl-8-(trifluoromethyl)quinoline
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| Structure |
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| Formula |
C25H20F3NO2S
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| Molecular Weight |
455.501
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| Canonical SMILES |
CCS(=O)(=O)c1cccc(c1)-c1cccc(c1)-c1c(C)cnc2c(cccc12)C(F)(F)F
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| InChI |
InChI=1S/C25H20F3NO2S/c1-3-32(30,31)20-10-5-8-18(14-20)17-7-4-9-19(13-17)23-16(2)15-29-24-21(23)11-6-12-22(24)25(26,27)28/h4-15H,3H2,1-2H3
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| InChIKey |
JVIDKHNOLQEIJP-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