General Information of the Compound
| Compound ID |
CP0058455
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| Compound Name |
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-3-ylmethyl)hexanamide
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| Structure |
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| Formula |
C29H36N4O2
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| Molecular Weight |
472.633
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2cccnc2)CC1
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| InChI |
InChI=1S/C29H36N4O2/c1-35-26-14-12-25(13-15-26)27-9-4-5-10-28(27)33-20-18-32(19-21-33)17-6-2-3-11-29(34)31-23-24-8-7-16-30-22-24/h4-5,7-10,12-16,22H,2-3,6,11,17-21,23H2,1H3,(H,31,34)
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| InChIKey |
UDGQZYCIYQYSGM-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