General Information of the Compound
| Compound ID |
CP0433985
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| Compound Name |
methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate
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| Structure |
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| Formula |
C21H28N4O3
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| Molecular Weight |
384.48
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| Canonical SMILES |
CCCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
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| InChI |
InChI=1S/C21H28N4O3/c1-5-6-7-8-16-24-17-18(25(16)12-21(2,3)27)14-10-9-13(20(26)28-4)11-15(14)23-19(17)22/h9-11,27H,5-8,12H2,1-4H3,(H2,22,23)
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| InChIKey |
GLQTVAWDQNPURO-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