General Information of the Compound
| Compound ID |
CP0489169
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| Compound Name |
1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C20H30FN5O
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| Molecular Weight |
375.492
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1
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| InChI |
InChI=1S/C20H30FN5O/c1-27-20-9-5-4-8-19(20)25-14-12-24(13-15-25)16-18-17-26(23-22-18)11-7-3-2-6-10-21/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3
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| InChIKey |
UQNPMHBOQOCPSK-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