General Information of the Compound
| Compound ID |
CP0093139
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| Compound Name |
1-(2-methoxyphenyl)-4-[4-[1-(4-thiophen-3-ylphenyl)triazol-4-yl]butyl]piperazine
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| Structure |
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| Formula |
C27H31N5OS
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| Molecular Weight |
473.646
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
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| InChI |
InChI=1S/C27H31N5OS/c1-33-27-8-3-2-7-26(27)31-17-15-30(16-18-31)14-5-4-6-24-20-32(29-28-24)25-11-9-22(10-12-25)23-13-19-34-21-23/h2-3,7-13,19-21H,4-6,14-18H2,1H3
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| InChIKey |
XDFFHOCWALNYAJ-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