General Information of the Compound
| Compound ID |
CP0859647
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| Compound Name |
4-(5-(6-amino-2-butoxy-8-oxo-7H-purin-9(8H)-yl)pentyl)piperidinium chloride
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| Structure |
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| Formula |
C19H33ClN6O2
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| Molecular Weight |
412.966
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| Canonical SMILES |
CCCCOc1nc(N)c2[nH]c(=O)n(CCCCCC3CCNCC3)c2n1.Cl
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| InChI |
InChI=1S/C19H32N6O2.ClH/c1-2-3-13-27-18-23-16(20)15-17(24-18)25(19(26)22-15)12-6-4-5-7-14-8-10-21-11-9-14;/h14,21H,2-13H2,1H3,(H,22,26)(H2,20,23,24);1H
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| InChIKey |
JAXMUSKZAMULNG-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: PT02546, Toll-like receptor 8