General Information of the Compound
| Compound ID |
CP0388320
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| Compound Name |
4-{4-[2-(2-Dimethylamino-ethoxy)-5-methanesulfonyl-benzoyl]-piperazin-1-yl}-3-fluorobenzonitrile
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| Structure |
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| Formula |
C23H27FN4O4S
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| Molecular Weight |
474.558
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O
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| InChI |
InChI=1S/C23H27FN4O4S/c1-26(2)12-13-32-22-7-5-18(33(3,30)31)15-19(22)23(29)28-10-8-27(9-11-28)21-6-4-17(16-25)14-20(21)24/h4-7,14-15H,8-13H2,1-3H3
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| InChIKey |
SCUQFNPEPJLVKL-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