General Information of the Compound
| Compound ID |
CP0560721
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| Compound Name |
N-[(2-methoxyphenyl)methyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexanamide;hydrochloride
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| Formula |
C25H36ClN3O3
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| Molecular Weight |
462.034
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| Canonical SMILES |
Cl.COc1ccccc1CNC(=O)CCCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C25H35N3O3.ClH/c1-30-23-12-7-5-10-21(23)20-26-25(29)14-4-3-9-15-27-16-18-28(19-17-27)22-11-6-8-13-24(22)31-2;/h5-8,10-13H,3-4,9,14-20H2,1-2H3,(H,26,29);1H
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| InChIKey |
PKIXEGNSOZGPCY-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