General Information of the Compound
| Compound ID |
CP0461772
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| Compound Name |
methyl 4-amino-2-benzyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
COC(=O)c1ccc2c3n(CC(C)(C)O)c(Cc4ccccc4)nc3c(N)nc2c1
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| InChI |
InChI=1S/C23H24N4O3/c1-23(2,29)13-27-18(11-14-7-5-4-6-8-14)26-19-20(27)16-10-9-15(22(28)30-3)12-17(16)25-21(19)24/h4-10,12,29H,11,13H2,1-3H3,(H2,24,25)
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| InChIKey |
MUDHOUVLKLZSNR-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