General Information of the Compound
| Compound ID |
CP0128009
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| Compound Name |
3-Methyl-2-[3'-(methylsulfonyl)biphenyl-4-yl]-5-(trifluoromethyl)-quinoxaline
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| Structure |
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| Formula |
C23H17F3N2O2S
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| Molecular Weight |
442.462
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| Canonical SMILES |
Cc1nc2c(cccc2nc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C23H17F3N2O2S/c1-14-21(28-20-8-4-7-19(22(20)27-14)23(24,25)26)16-11-9-15(10-12-16)17-5-3-6-18(13-17)31(2,29)30/h3-13H,1-2H3
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| InChIKey |
YKGVGRQMFLSEFJ-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