General Information of the Compound
| Compound ID |
CP0121966
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| Compound Name |
6-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C26H35N7O2
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| Molecular Weight |
477.613
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| Canonical SMILES |
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C26H35N7O2/c1-18-9-8-10-21(20(18)3)31-15-13-30(14-16-31)11-6-7-12-32-19(2)17-33-22-23(27-25(32)33)28(4)26(35)29(5)24(22)34/h8-10,17H,6-7,11-16H2,1-5H3
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| InChIKey |
BGCTWVTVIOEIPP-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
Protein ID: PT01005, D(2) dopamine receptor