General Information of the Compound
| Compound ID |
CP0544708
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| Compound Name |
6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine
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| Structure |
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| Formula |
C24H41N9
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| Molecular Weight |
455.655
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(nc23)N2CCCC2)N2CCN(CC)CC2)CC1
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| InChI |
InChI=1S/C24H41N9/c1-3-28-12-14-30(15-13-28)8-7-11-33-20-25-21-22(31-18-16-29(4-2)17-19-31)26-24(27-23(21)33)32-9-5-6-10-32/h20H,3-19H2,1-2H3
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| InChIKey |
NABFTEMVMVSCQX-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: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9