General Information of the Compound
| Compound ID |
CP0573268
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| Compound Name |
4-N-butyl-6-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]pyrido[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C22H30N6
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| Molecular Weight |
378.524
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| Canonical SMILES |
CCCCNc1nc(N)nc2ccc(CCc3ccc(CN(C)C)cc3)nc12
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| InChI |
InChI=1S/C22H30N6/c1-4-5-14-24-21-20-19(26-22(23)27-21)13-12-18(25-20)11-10-16-6-8-17(9-7-16)15-28(2)3/h6-9,12-13H,4-5,10-11,14-15H2,1-3H3,(H3,23,24,26,27)
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| InChIKey |
WHXOPNPCIJPFRE-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