General Information of the Compound
| Compound ID |
CP0496504
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| Compound Name |
[4-[2-amino-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]piperazin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C25H35N9O
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| Molecular Weight |
477.617
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| Canonical SMILES |
CCN1CCN(CCCn2cnc3c(nc(N)nc23)N2CCN(CC2)C(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C25H35N9O/c1-2-30-11-13-31(14-12-30)9-6-10-34-19-27-21-22(28-25(26)29-23(21)34)32-15-17-33(18-16-32)24(35)20-7-4-3-5-8-20/h3-5,7-8,19H,2,6,9-18H2,1H3,(H2,26,28,29)
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| InChIKey |
KQKDPFXCUASUHG-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