General Information of the Compound
| Compound ID |
CP0153455
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| Compound Name |
1-[(4-amino-1-ethyl-7-thiophen-2-ylimidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C21H21N5OS
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| Molecular Weight |
391.5
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| Canonical SMILES |
CCn1c(CN2CCCC2=O)nc2c(N)nc3cc(ccc3c12)-c1cccs1
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| InChI |
InChI=1S/C21H21N5OS/c1-2-26-17(12-25-9-3-6-18(25)27)24-19-20(26)14-8-7-13(16-5-4-10-28-16)11-15(14)23-21(19)22/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H2,22,23)
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| InChIKey |
CGLVUSIOUZYZFJ-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