General Information of the Compound
| Compound ID |
CP0475928
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| Compound Name |
7-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
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| Structure |
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| Formula |
C22H29ClN6O2
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| Molecular Weight |
444.967
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| Canonical SMILES |
Cn1c2ncn(CCCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C22H29ClN6O2.ClH/c1-25-20-19(21(30)26(2)22(25)31)29(16-24-20)10-5-3-4-9-27-11-13-28(14-12-27)18-8-6-7-17(23)15-18;/h6-8,15-16H,3-5,9-14H2,1-2H3;1H
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| InChIKey |
JXBBTIRIOXBXLF-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