General Information of the Compound
| Compound ID |
CP0271059
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| Compound Name |
1-[(4-amino-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C19H17N5OS
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| Molecular Weight |
363.446
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| Canonical SMILES |
Nc1nc2cc(ccc2c2[nH]c(CN3CCCC3=O)nc12)-c1cccs1
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| InChI |
InChI=1S/C19H17N5OS/c20-19-18-17(22-15(23-18)10-24-7-1-4-16(24)25)12-6-5-11(9-13(12)21-19)14-3-2-8-26-14/h2-3,5-6,8-9H,1,4,7,10H2,(H2,20,21)(H,22,23)
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| InChIKey |
KRIXKRZTVXIJMD-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