General Information of the Compound
| Compound ID |
CP0569171
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| Compound Name |
4-N-butyl-6-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C23H32N5O3P
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| Molecular Weight |
457.515
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| Canonical SMILES |
CCCCNc1nc(N)nc2ccc(Cc3ccc(CP(=O)(OCC)OCC)cc3)nc12
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| InChI |
InChI=1S/C23H32N5O3P/c1-4-7-14-25-22-21-20(27-23(24)28-22)13-12-19(26-21)15-17-8-10-18(11-9-17)16-32(29,30-5-2)31-6-3/h8-13H,4-7,14-16H2,1-3H3,(H3,24,25,27,28)
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| InChIKey |
QLJLTRNOVXPKPN-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