General Information of the Compound
| Compound ID |
CP0430237
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| Compound Name |
1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-2-methylsulfanyl-1H-benzoimidazole
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| Structure |
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| Formula |
C30H32N4O2S2
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| Molecular Weight |
544.746
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCn2c(SC)nc3ccccc23)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H32N4O2S2/c1-35-23-15-11-21(12-16-23)27-28(22-13-17-24(36-2)18-14-22)33-29(32-27)38-20-8-4-7-19-34-26-10-6-5-9-25(26)31-30(34)37-3/h5-6,9-18H,4,7-8,19-20H2,1-3H3,(H,32,33)
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| InChIKey |
QTUMRUCNLVLQQC-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