General Information of the Compound
| Compound ID |
CP0378700
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| Compound Name |
4-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
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| Structure |
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| Formula |
C13H24N4O
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| Molecular Weight |
252.362
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCCO
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| InChI |
InChI=1S/C13H24N4O/c1-3-4-8-15-12-11(7-5-6-9-18)10(2)16-13(14)17-12/h18H,3-9H2,1-2H3,(H3,14,15,16,17)
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| InChIKey |
TWXDNVYKWGTDNY-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