General Information of the Compound
| Compound ID |
CP0522470
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| Compound Name |
1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-2-isopropyl-1H-benzoimidazole
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| Structure |
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| Formula |
C32H36N4O2S
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| Molecular Weight |
540.733
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCCCCn2c(nc3ccccc23)C(C)C)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C32H36N4O2S/c1-22(2)31-33-27-10-6-7-11-28(27)36(31)20-8-5-9-21-39-32-34-29(23-12-16-25(37-3)17-13-23)30(35-32)24-14-18-26(38-4)19-15-24/h6-7,10-19,22H,5,8-9,20-21H2,1-4H3,(H,34,35)
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| InChIKey |
CHJNGYQXDSTVNT-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