General Information of the Compound
| Compound ID |
CP0393152
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| Compound Name |
4-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzenesulfonamide
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| Structure |
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| Formula |
C21H28FN3O3S
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| Molecular Weight |
421.538
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C21H28FN3O3S/c1-28-21-7-3-2-6-20(21)25-16-14-24(15-17-25)13-5-4-12-23-29(26,27)19-10-8-18(22)9-11-19/h2-3,6-11,23H,4-5,12-17H2,1H3
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| InChIKey |
XOZFOKIHXFIGLO-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor