General Information of the Compound
| Compound ID |
CP0282007
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| Compound Name |
6-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C29H32ClN7O2
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| Molecular Weight |
546.075
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| Canonical SMILES |
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccc(Cl)cc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
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| InChI |
InChI=1S/C29H32ClN7O2/c1-32-26-25(27(38)33(2)29(32)39)37-20-24(21-8-4-3-5-9-21)36(28(37)31-26)15-7-6-14-34-16-18-35(19-17-34)23-12-10-22(30)11-13-23/h3-5,8-13,20H,6-7,14-19H2,1-2H3
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| InChIKey |
SMRDWSOUDWTDBN-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