General Information of the Compound
| Compound ID |
CP0405574
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| Compound Name |
3-Fluoro-4-[4-(5-methanesulfonyl-2-methoxy-benzoyl)-piperazin-1-yl]-benzonitrile
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| Structure |
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| Formula |
C20H20FN3O4S
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| Molecular Weight |
417.462
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| Canonical SMILES |
COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
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| InChI |
InChI=1S/C20H20FN3O4S/c1-28-19-6-4-15(29(2,26)27)12-16(19)20(25)24-9-7-23(8-10-24)18-5-3-14(13-22)11-17(18)21/h3-6,11-12H,7-10H2,1-2H3
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| InChIKey |
SBHJGZHJJMSSPL-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