General Information of the Compound
| Compound ID |
CP0519720
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| Compound Name |
6-[5-[4-(4-chlorophenyl)piperazin-1-yl]pentyl]-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
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| Structure |
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| Formula |
C25H32ClN7O2
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| Molecular Weight |
498.031
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| Canonical SMILES |
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H32ClN7O2/c1-18-17-33-21-22(28(2)25(35)29(3)23(21)34)27-24(33)32(18)12-6-4-5-11-30-13-15-31(16-14-30)20-9-7-19(26)8-10-20/h7-10,17H,4-6,11-16H2,1-3H3
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| InChIKey |
WIULHOMYYIYQKY-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