General Information of the Compound
| Compound ID |
CP0481901
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| Compound Name |
7-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
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| Structure |
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| Formula |
C23H32N6O3
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| Molecular Weight |
440.548
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
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| InChI |
InChI=1S/C23H32N6O3.ClH/c1-25-21-20(22(30)26(2)23(25)31)29(17-24-21)12-8-4-7-11-27-13-15-28(16-14-27)18-9-5-6-10-19(18)32-3;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3;1H
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| InChIKey |
YMJMBHOKHYLUDZ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7