General Information of the Compound
| Compound ID |
CP0508587
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| Compound Name |
2-{5-[4,5-di(4-methoxyphenyl)-1H-2-imidazolylsulfanyl]pentylsulfanyl}-4,5-di(4-methoxyphenyl)-1H-imidazole
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| Structure |
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| Formula |
C39H40N4O4S2
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| Molecular Weight |
692.907
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCSc2nc(c([nH]2)-c2ccc(OC)cc2)-c2ccc(OC)cc2)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C39H40N4O4S2/c1-44-30-16-8-26(9-17-30)34-35(27-10-18-31(45-2)19-11-27)41-38(40-34)48-24-6-5-7-25-49-39-42-36(28-12-20-32(46-3)21-13-28)37(43-39)29-14-22-33(47-4)23-15-29/h8-23H,5-7,24-25H2,1-4H3,(H,40,41)(H,42,43)
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| InChIKey |
GCSYGWIJQZAGLU-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