General Information of the Compound
| Compound ID |
CP0400278
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| Compound Name |
1-(2-methoxyphenyl)-4-[3-[1-(4-methylsulfanylphenyl)triazol-4-yl]propyl]piperazine
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| Structure |
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| Formula |
C23H29N5OS
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| Molecular Weight |
423.586
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(SC)cc2)CC1
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| InChI |
InChI=1S/C23H29N5OS/c1-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-18-28(25-24-19)20-9-11-21(30-2)12-10-20/h3-4,7-12,18H,5-6,13-17H2,1-2H3
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| InChIKey |
BKMZKOFYOHRYLE-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