General Information of the Compound
| Compound ID |
CP0093141
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| Compound Name |
1-(2-methoxyphenyl)-4-[5-[1-(4-thiophen-3-ylphenyl)triazol-4-yl]pentyl]piperazine
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| Structure |
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| Formula |
C28H33N5OS
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| Molecular Weight |
487.673
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
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| InChI |
InChI=1S/C28H33N5OS/c1-34-28-9-5-4-8-27(28)32-18-16-31(17-19-32)15-6-2-3-7-25-21-33(30-29-25)26-12-10-23(11-13-26)24-14-20-35-22-24/h4-5,8-14,20-22H,2-3,6-7,15-19H2,1H3
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| InChIKey |
QRCFVXJHTKTGJU-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