General Information of the Compound
| Compound ID |
CP0432598
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| Compound Name |
6-Fluoro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-nicotinamide
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| Structure |
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| Formula |
C21H27FN4O2
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| Molecular Weight |
386.471
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1
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| InChI |
InChI=1S/C21H27FN4O2/c1-28-19-7-3-2-6-18(19)26-14-12-25(13-15-26)11-5-4-10-23-21(27)17-8-9-20(22)24-16-17/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,23,27)
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| InChIKey |
DOVTZHSQYCZIIX-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