General Information of the Compound
| Compound ID |
CP0377261
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| Compound Name |
1-(3-fluoro-4-(4-(3'-fluoro-4-(methylsulfonyl)biphenylcarbonyl)piperazin-1-yl)phenyl)ethanone
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| Structure |
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| Formula |
C26H24F2N2O4S
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| Molecular Weight |
498.551
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| Canonical SMILES |
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2cccc(F)c2)S(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H24F2N2O4S/c1-17(31)18-6-9-25(24(28)15-18)29-10-12-30(13-11-29)26(32)23-16-21(35(2,33)34)7-8-22(23)19-4-3-5-20(27)14-19/h3-9,14-16H,10-13H2,1-2H3
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| InChIKey |
BJTJSPZJZKJEOQ-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
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2