General Information of the Compound
| Compound ID |
CP0386354
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| Compound Name |
8-ethoxy-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione
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| Structure |
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| Formula |
C24H34N6O4
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| Molecular Weight |
470.574
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| Canonical SMILES |
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C24H34N6O4/c1-5-34-23-25-21-20(22(31)27(3)24(32)26(21)2)30(23)13-9-8-12-28-14-16-29(17-15-28)18-10-6-7-11-19(18)33-4/h6-7,10-11H,5,8-9,12-17H2,1-4H3
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| InChIKey |
FDLUDVDKQLZDHH-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