General Information of the Compound
| Compound ID |
CP0391219
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| Compound Name |
1-[[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C22H26FN5O2
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| Molecular Weight |
411.481
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCF)cc2)CC1
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| InChI |
InChI=1S/C22H26FN5O2/c1-29-22-5-3-2-4-21(22)27-13-11-26(12-14-27)16-18-17-28(25-24-18)19-6-8-20(9-7-19)30-15-10-23/h2-9,17H,10-16H2,1H3
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| InChIKey |
LHYAIPJNIYZFAE-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