General Information of the Compound
| Compound ID |
CP0847786
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| Compound Name |
N4-Butyl-6-methyl-5-(3-(piperazin-1-yl)propyl)pyrimidine-2,4-diamine trihydrochloride
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| Structure |
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| Formula |
C16H33Cl3N6
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| Molecular Weight |
415.841
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCN1CCNCC1.Cl.Cl.Cl
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| InChI |
InChI=1S/C16H30N6.3ClH/c1-3-4-7-19-15-14(13(2)20-16(17)21-15)6-5-10-22-11-8-18-9-12-22;;;/h18H,3-12H2,1-2H3,(H3,17,19,20,21);3*1H
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| InChIKey |
LQJROWQHWSAGIL-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