General Information of the Compound
| Compound ID |
CP0569174
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| Compound Name |
N-benzyl-6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
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| Structure |
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| Formula |
C27H41N9
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| Molecular Weight |
491.688
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(NCc4ccccc4)nc23)N2CCN(CC)CC2)CC1
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| InChI |
InChI=1S/C27H41N9/c1-3-32-13-15-34(16-14-32)11-8-12-36-22-29-24-25(35-19-17-33(4-2)18-20-35)30-27(31-26(24)36)28-21-23-9-6-5-7-10-23/h5-7,9-10,22H,3-4,8,11-21H2,1-2H3,(H,28,30,31)
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| InChIKey |
GEAUQPORMXMCPY-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