General Information of the Compound
| Compound ID |
CP0457356
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| Compound Name |
1-[[4-amino-7-(2-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C21H18FN5O
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| Molecular Weight |
375.407
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| Canonical SMILES |
Nc1nc2cc(ccc2c2[nH]c(CN3CCCC3=O)nc12)-c1ccccc1F
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| InChI |
InChI=1S/C21H18FN5O/c22-15-5-2-1-4-13(15)12-7-8-14-16(10-12)24-21(23)20-19(14)25-17(26-20)11-27-9-3-6-18(27)28/h1-2,4-5,7-8,10H,3,6,9,11H2,(H2,23,24)(H,25,26)
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| InChIKey |
NMYPBTVWAQKBTP-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