General Information of the Compound
| Compound ID |
CP0441193
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| Compound Name |
5-[3-(azepan-1-yl)propyl]-4-N-butyl-6-methylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H33N5
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| Molecular Weight |
319.497
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCN1CCCCCC1
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| InChI |
InChI=1S/C18H33N5/c1-3-4-11-20-17-16(15(2)21-18(19)22-17)10-9-14-23-12-7-5-6-8-13-23/h3-14H2,1-2H3,(H3,19,20,21,22)
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| InChIKey |
APXUGFXMOBSKDN-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