General Information of the Compound
| Compound ID |
CP0569173
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| Compound Name |
[4-[[2-amino-4-(butylamino)pyrido[3,2-d]pyrimidin-6-yl]methyl]phenyl]methyl-trimethylazanium;chloride
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| Structure |
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| Formula |
C22H31ClN6
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| Molecular Weight |
414.985
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| Canonical SMILES |
[Cl-].CCCCNc1nc(N)nc2ccc(Cc3ccc(C[N+](C)(C)C)cc3)nc12
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| InChI |
InChI=1S/C22H31N6.ClH/c1-5-6-13-24-21-20-19(26-22(23)27-21)12-11-18(25-20)14-16-7-9-17(10-8-16)15-28(2,3)4;/h7-12H,5-6,13-15H2,1-4H3,(H3,23,24,26,27);1H/q+1;/p-1
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| InChIKey |
ZBXIEZGSSPSVNJ-UHFFFAOYSA-M
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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