General Information of the Compound
| Compound ID |
CP0400119
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| Compound Name |
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]hexanediamide
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| Structure |
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| Formula |
C50H56N10O2
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| Molecular Weight |
829.066
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| Canonical SMILES |
CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1
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| InChI |
InChI=1S/C50H56N10O2/c1-3-5-17-41-57-45-47(37-13-7-9-15-39(37)55-49(45)51)59(41)31-35-25-21-33(22-26-35)29-53-43(61)19-11-12-20-44(62)54-30-34-23-27-36(28-24-34)32-60-42(18-6-4-2)58-46-48(60)38-14-8-10-16-40(38)56-50(46)52/h7-10,13-16,21-28H,3-6,11-12,17-20,29-32H2,1-2H3,(H2,51,55)(H2,52,56)(H,53,61)(H,54,62)
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| InChIKey |
GLOKCLINUGIGNZ-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