General Information of the Compound
| Compound ID |
CP0398057
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| Compound Name |
1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione;hydrochloride
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| Structure |
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| Formula |
C21H28N6O2
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| Molecular Weight |
396.495
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| Canonical SMILES |
Cn1c2ncn(CCCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C21H28N6O2.ClH/c1-23-19-18(20(28)24(2)21(23)29)27(16-22-19)11-7-6-10-25-12-14-26(15-13-25)17-8-4-3-5-9-17;/h3-5,8-9,16H,6-7,10-15H2,1-2H3;1H
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| InChIKey |
VYJLWTSKBVYVBN-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