General Information of the Compound
| Compound ID |
CP0385681
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| Compound Name |
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]dodecanediamide
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| Structure |
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| Formula |
C56H68N10O2
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| Molecular Weight |
913.228
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| Canonical SMILES |
CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1
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| InChI |
InChI=1S/C56H68N10O2/c1-3-5-23-47-63-51-53(43-19-15-17-21-45(43)61-55(51)57)65(47)37-41-31-27-39(28-32-41)35-59-49(67)25-13-11-9-7-8-10-12-14-26-50(68)60-36-40-29-33-42(34-30-40)38-66-48(24-6-4-2)64-52-54(66)44-20-16-18-22-46(44)62-56(52)58/h15-22,27-34H,3-14,23-26,35-38H2,1-2H3,(H2,57,61)(H2,58,62)(H,59,67)(H,60,68)
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| InChIKey |
XNDFWMCQDKMYHD-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