General Information of the Compound
| Compound ID |
CP0481424
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| Compound Name |
4-[2-(1-Methylethyl)phenyl]-N-(4-pyridinylmethyl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C25H36N4O
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| Molecular Weight |
408.59
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| Canonical SMILES |
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
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| InChI |
InChI=1S/C25H36N4O/c1-21(2)23-8-5-6-9-24(23)29-18-16-28(17-19-29)15-7-3-4-10-25(30)27-20-22-11-13-26-14-12-22/h5-6,8-9,11-14,21H,3-4,7,10,15-20H2,1-2H3,(H,27,30)
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| InChIKey |
MNZXUJMLYMHIPK-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: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor