General Information of the Compound
| Compound ID |
CP0510101
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| Compound Name |
1-(3-fluoro-4-(4-(2-isopropoxy-5-(methylsulfonyl)benzoyl)piperazin-1-yl)phenyl)ethanone
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| Structure |
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| Formula |
C23H27FN2O5S
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| Molecular Weight |
462.543
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C23H27FN2O5S/c1-15(2)31-22-8-6-18(32(4,29)30)14-19(22)23(28)26-11-9-25(10-12-26)21-7-5-17(16(3)27)13-20(21)24/h5-8,13-15H,9-12H2,1-4H3
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| InChIKey |
PJVGTUPTMUICKQ-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