General Information of the Compound
| Compound ID |
CP0432826
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| Compound Name |
4-N-butyl-6-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H34N6
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| Molecular Weight |
382.556
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H34N6/c1-3-4-12-24-21-20(18(2)25-22(23)26-21)11-8-13-27-14-16-28(17-15-27)19-9-6-5-7-10-19/h5-7,9-10H,3-4,8,11-17H2,1-2H3,(H3,23,24,25,26)
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| InChIKey |
FMBMOSNZZYHHJM-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