General Information of the Compound
| Compound ID |
CP0447819
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| Compound Name |
N,N'-bis[4-amino-1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-8-yl]hexanediamide
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| Structure |
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| Formula |
C50H58N12O2
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| Molecular Weight |
859.096
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| Canonical SMILES |
CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1
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| InChI |
InChI=1S/C50H58N12O2/c1-3-5-9-41-59-45-47(61(41)29-33-17-13-31(27-51)14-18-33)37-25-35(21-23-39(37)57-49(45)53)55-43(63)11-7-8-12-44(64)56-36-22-24-40-38(26-36)48-46(50(54)58-40)60-42(10-6-4-2)62(48)30-34-19-15-32(28-52)16-20-34/h13-26H,3-12,27-30,51-52H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)
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| InChIKey |
QCOVBISRDOKFGU-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