General Information of the Compound
| Compound ID |
CP0522858
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| Compound Name |
1-(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)benzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone
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| Structure |
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| Formula |
C24H27FN2O5S
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| Molecular Weight |
474.554
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| Canonical SMILES |
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2OCC2CC2)S(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H27FN2O5S/c1-16(28)18-5-7-22(21(25)13-18)26-9-11-27(12-10-26)24(29)20-14-19(33(2,30)31)6-8-23(20)32-15-17-3-4-17/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3
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| InChIKey |
WBYYGBHFXXFGOM-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