General Information of the Compound
| Compound ID |
CP0476287
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| Compound Name |
methyl 4-amino-1-(5-aminopentyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
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| Structure |
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| Formula |
C21H29N5O2
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| Molecular Weight |
383.496
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| Canonical SMILES |
CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCCN)C(=O)OC
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| InChI |
InChI=1S/C21H29N5O2/c1-3-4-8-17-25-18-19(26(17)12-7-5-6-11-22)15-10-9-14(21(27)28-2)13-16(15)24-20(18)23/h9-10,13H,3-8,11-12,22H2,1-2H3,(H2,23,24)
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| InChIKey |
JEGPXIRROZENJQ-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