General Information of the Compound
| Compound ID |
CP0526153
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| Compound Name |
N,N'-bis(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)octane-1,8-diamine
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| Structure |
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| Formula |
C50H58N8
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| Molecular Weight |
771.07
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| Canonical SMILES |
CCCCc1nc2c(NCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1
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| InChI |
InChI=1S/C50H58N8/c1-3-5-31-43-55-45-47(57(43)35-37-23-13-11-14-24-37)39-27-17-19-29-41(39)53-49(45)51-33-21-9-7-8-10-22-34-52-50-46-48(40-28-18-20-30-42(40)54-50)58(44(56-46)32-6-4-2)36-38-25-15-12-16-26-38/h11-20,23-30H,3-10,21-22,31-36H2,1-2H3,(H,51,53)(H,52,54)
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| InChIKey |
OPYPPOOMEDHDRP-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