General Information of the Compound
| Compound ID |
CP0410768
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| Compound Name |
N,N'-bis[4-amino-1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-8-yl]dodecanediamide
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| Structure |
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| Formula |
C56H70N12O2
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| Molecular Weight |
943.258
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| Canonical SMILES |
CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCCCCCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1
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| InChI |
InChI=1S/C56H70N12O2/c1-3-5-15-47-65-51-53(67(47)35-39-23-19-37(33-57)20-24-39)43-31-41(27-29-45(43)63-55(51)59)61-49(69)17-13-11-9-7-8-10-12-14-18-50(70)62-42-28-30-46-44(32-42)54-52(56(60)64-46)66-48(16-6-4-2)68(54)36-40-25-21-38(34-58)22-26-40/h19-32H,3-18,33-36,57-58H2,1-2H3,(H2,59,63)(H2,60,64)(H,61,69)(H,62,70)
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| InChIKey |
DVIABSQMRNJBIA-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