General Information of the Compound
| Compound ID |
CP0489353
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| Compound Name |
6-benzyl-4-N-butylpteridine-2,4-diamine
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| Structure |
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| Formula |
C17H20N6
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| Molecular Weight |
308.389
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| Canonical SMILES |
CCCCNc1nc(N)nc2ncc(Cc3ccccc3)nc12
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| InChI |
InChI=1S/C17H20N6/c1-2-3-9-19-15-14-16(23-17(18)22-15)20-11-13(21-14)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H3,18,19,20,22,23)
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| InChIKey |
YQGCITJVNXZCKI-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