General Information of the Compound
| Compound ID |
CP0398058
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| Compound Name |
7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
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| Structure |
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| Formula |
C25H34ClN7O3
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| Molecular Weight |
516.046
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| Canonical SMILES |
Cn1c2nc(N3CCOCC3)n(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C25H34ClN7O3/c1-28-22-21(23(34)29(2)25(28)35)33(24(27-22)32-14-16-36-17-15-32)9-4-3-8-30-10-12-31(13-11-30)20-7-5-6-19(26)18-20/h5-7,18H,3-4,8-17H2,1-2H3
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| InChIKey |
ZWMTZLZDXWYVBT-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