General Information of the Compound
| Compound ID |
CP0551603
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| Compound Name |
6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-N-[(4-methoxyphenyl)methyl]purin-2-amine
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| Structure |
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| Formula |
C28H43N9O
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| Molecular Weight |
521.714
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(NCc4ccc(OC)cc4)nc23)N2CCN(CC)CC2)CC1
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| InChI |
InChI=1S/C28H43N9O/c1-4-33-13-15-35(16-14-33)11-6-12-37-22-30-25-26(36-19-17-34(5-2)18-20-36)31-28(32-27(25)37)29-21-23-7-9-24(38-3)10-8-23/h7-10,22H,4-6,11-21H2,1-3H3,(H,29,31,32)
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| InChIKey |
ROGYDRPJFOGJNC-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