General Information of the Compound
| Compound ID |
CP0445706
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| Compound Name |
N-[(4-cyanophenyl)methyl]-6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]hexanamide
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| Structure |
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| Formula |
C31H36N4O2
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| Molecular Weight |
496.655
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| Canonical SMILES |
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C31H36N4O2/c1-37-28-16-14-27(15-17-28)29-7-4-5-8-30(29)35-21-19-34(20-22-35)18-6-2-3-9-31(36)33-24-26-12-10-25(23-32)11-13-26/h4-5,7-8,10-17H,2-3,6,9,18-22,24H2,1H3,(H,33,36)
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| InChIKey |
HGCNXEAQMMJLQX-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