General Information of the Compound
| Compound ID |
CP0382642
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| Compound Name |
N-[[4-(methoxymethoxy)phenyl]methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C31H39N3O3
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| Molecular Weight |
501.671
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| Canonical SMILES |
COCOc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C31H39N3O3/c1-36-25-37-28-17-15-26(16-18-28)24-32-31(35)14-6-3-9-19-33-20-22-34(23-21-33)30-13-8-7-12-29(30)27-10-4-2-5-11-27/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-25H2,1H3,(H,32,35)
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| InChIKey |
HUFSUMIWNMPJOE-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor