General Information of the Compound
| Compound ID |
CP0153456
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| Compound Name |
(4S)-1-[(4-amino-7-pyrazol-1-yl-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-4-phenylpyrrolidin-2-one
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| Structure |
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| Formula |
C24H21N7O
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| Molecular Weight |
423.48
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| Canonical SMILES |
Nc1nc2cc(ccc2c2[nH]c(CN3C[C@@H](CC3=O)c3ccccc3)nc12)-n1cccn1
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| InChI |
InChI=1S/C24H21N7O/c25-24-23-22(18-8-7-17(12-19(18)27-24)31-10-4-9-26-31)28-20(29-23)14-30-13-16(11-21(30)32)15-5-2-1-3-6-15/h1-10,12,16H,11,13-14H2,(H2,25,27)(H,28,29)/t16-/m1/s1
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| InChIKey |
XWUPTUVGZHIYAK-MRXNPFEDSA-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