General Information of the Compound
| Compound ID |
CP0521331
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| Compound Name |
2-[2-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethoxy]ethylsulfanyl]-4,5-diphenyl-1H-imidazole
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| Structure |
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| Formula |
C36H34N4O3S2
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| Molecular Weight |
634.827
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCOCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C36H34N4O3S2/c1-41-29-17-13-27(14-18-29)33-34(28-15-19-30(42-2)20-16-28)40-36(39-33)45-24-22-43-21-23-44-35-37-31(25-9-5-3-6-10-25)32(38-35)26-11-7-4-8-12-26/h3-20H,21-24H2,1-2H3,(H,37,38)(H,39,40)
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| InChIKey |
SPSQPDMRHXNWDJ-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