General Information of the Compound
| Compound ID |
CP0528677
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| Compound Name |
6-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H26N6O
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| Molecular Weight |
366.469
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| Canonical SMILES |
COCCNc1nc(N)nc2ccc(Cc3ccc(CN(C)C)cc3)nc12
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| InChI |
InChI=1S/C20H26N6O/c1-26(2)13-15-6-4-14(5-7-15)12-16-8-9-17-18(23-16)19(22-10-11-27-3)25-20(21)24-17/h4-9H,10-13H2,1-3H3,(H3,21,22,24,25)
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| InChIKey |
UQHYCVOVYJQJOY-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