General Information of the Compound
| Compound ID |
CP0379915
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| Compound Name |
methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
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| Structure |
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| Formula |
C20H26N4O3
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| Molecular Weight |
370.453
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| Canonical SMILES |
CCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
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| InChI |
InChI=1S/C20H26N4O3/c1-5-6-7-15-23-16-17(24(15)11-20(2,3)26)13-9-8-12(19(25)27-4)10-14(13)22-18(16)21/h8-10,26H,5-7,11H2,1-4H3,(H2,21,22)
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| InChIKey |
VMUKZTRCWGVBDU-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