General Information of the Compound
| Compound ID |
CP0385680
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| Compound Name |
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]octanediamide
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| Structure |
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| Formula |
C52H60N10O2
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| Molecular Weight |
857.12
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| Canonical SMILES |
CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1
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| InChI |
InChI=1S/C52H60N10O2/c1-3-5-19-43-59-47-49(39-15-11-13-17-41(39)57-51(47)53)61(43)33-37-27-23-35(24-28-37)31-55-45(63)21-9-7-8-10-22-46(64)56-32-36-25-29-38(30-26-36)34-62-44(20-6-4-2)60-48-50(62)40-16-12-14-18-42(40)58-52(48)54/h11-18,23-30H,3-10,19-22,31-34H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)
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| InChIKey |
VVUOLQLRNRMEJG-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