General Information of the Compound
| Compound ID |
CP0097851
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| Compound Name |
4-N-butyl-6-methyl-5-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H28N6
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| Molecular Weight |
352.486
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCn1c(C)nc2ccccc12
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| InChI |
InChI=1S/C20H28N6/c1-4-5-12-22-19-16(14(2)23-20(21)25-19)9-8-13-26-15(3)24-17-10-6-7-11-18(17)26/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H3,21,22,23,25)
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| InChIKey |
IUYQVQWVHHFRKI-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