General Information of the Compound
| Compound ID |
CP0505005
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| Compound Name |
methyl 4-amino-2-butyl-1-[(2S)-2-hydroxypropyl]imidazo[4,5-c]quinoline-7-carboxylate
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| Structure |
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| Formula |
C19H24N4O3
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| Molecular Weight |
356.426
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| Canonical SMILES |
CCCCc1nc2c(N)nc3cc(ccc3c2n1C[C@H](C)O)C(=O)OC
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| InChI |
InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m0/s1
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| InChIKey |
MUXBNOKWIARUJW-NSHDSACASA-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