General Information of the Compound
| Compound ID |
CP0121965
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| Compound Name |
6-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C23H29N7O3
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| Molecular Weight |
451.531
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| Canonical SMILES |
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccccc4O)ccn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C23H29N7O3/c1-25-20-19(21(32)26(2)23(25)33)30-16-15-29(22(30)24-20)10-6-5-9-27-11-13-28(14-12-27)17-7-3-4-8-18(17)31/h3-4,7-8,15-16,31H,5-6,9-14H2,1-2H3
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| InChIKey |
OCILYBWYAOZBTC-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor