General Information of the Compound
| Compound ID |
CP0574499
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| Compound Name |
methyl 4-amino-1-[[4-(aminomethyl)phenyl]methyl]-2-(cyclopropylmethyl)imidazo[4,5-c]quinoline-7-carboxylate
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| Structure |
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| Formula |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
COC(=O)c1ccc2c3n(Cc4ccc(CN)cc4)c(CC4CC4)nc3c(N)nc2c1
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| InChI |
InChI=1S/C24H25N5O2/c1-31-24(30)17-8-9-18-19(11-17)27-23(26)21-22(18)29(20(28-21)10-14-2-3-14)13-16-6-4-15(12-25)5-7-16/h4-9,11,14H,2-3,10,12-13,25H2,1H3,(H2,26,27)
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| InChIKey |
HVMCCECEBUFEKI-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