General Information of the Compound
| Compound ID |
CP0551133
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| Compound Name |
2-[4-[4-[2-(4-methoxyphenyl)phenyl]piperidin-1-yl]butoxy]pyrazine
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| Formula |
C26H31N3O2
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| Molecular Weight |
417.553
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2cnccn2)CC1
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| InChI |
InChI=1S/C26H31N3O2/c1-30-23-10-8-21(9-11-23)24-6-2-3-7-25(24)22-12-17-29(18-13-22)16-4-5-19-31-26-20-27-14-15-28-26/h2-3,6-11,14-15,20,22H,4-5,12-13,16-19H2,1H3
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| InChIKey |
QTNMHOVGTBINTB-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