General Information of the Compound
| Compound ID |
CP0546048
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| Compound Name |
2-[5-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-3,3-dimethylpentoxy]pyrazine
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| Formula |
C28H36N4O2
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| Molecular Weight |
460.622
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCC(C)(C)CCOc2cnccn2)CC1
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| InChI |
InChI=1S/C28H36N4O2/c1-28(2,13-21-34-27-22-29-14-15-30-27)12-16-31-17-19-32(20-18-31)26-7-5-4-6-25(26)23-8-10-24(33-3)11-9-23/h4-11,14-15,22H,12-13,16-21H2,1-3H3
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| InChIKey |
ZSQFVQUFTALTNL-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7