General Information of the Compound
| Compound ID |
CP0362283
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| Compound Name |
1-(2-methoxyphenyl)-4-[4-[1-(4-methylsulfanylphenyl)triazol-4-yl]butyl]piperazine
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| Structure |
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| Formula |
C24H31N5OS
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| Molecular Weight |
437.613
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
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| InChI |
InChI=1S/C24H31N5OS/c1-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-19-29(26-25-20)21-10-12-22(31-2)13-11-21/h3-4,8-13,19H,5-7,14-18H2,1-2H3
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| InChIKey |
XZONNCQQDNOYMJ-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