General Information of the Compound
| Compound ID |
CP0389715
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| Compound Name |
4-N-butyl-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H31N5O
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| Molecular Weight |
309.458
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCN(C)CCOC
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| InChI |
InChI=1S/C16H31N5O/c1-5-6-9-18-15-14(13(2)19-16(17)20-15)8-7-10-21(3)11-12-22-4/h5-12H2,1-4H3,(H3,17,18,19,20)
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| InChIKey |
VDPBSLCNBPIBGQ-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