General Information of the Compound
| Compound ID |
CP0394402
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| Compound Name |
1-[2-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethoxy]ethyl]-2-methylbenzimidazole
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| Structure |
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| Formula |
C29H30N4O3S
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| Molecular Weight |
514.651
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(SCCOCCn2c(C)nc3ccccc23)[nH]c1-c1ccc(OC)cc1
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| InChI |
InChI=1S/C29H30N4O3S/c1-20-30-25-6-4-5-7-26(25)33(20)16-17-36-18-19-37-29-31-27(21-8-12-23(34-2)13-9-21)28(32-29)22-10-14-24(35-3)15-11-22/h4-15H,16-19H2,1-3H3,(H,31,32)
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| InChIKey |
WXBORRYYXDPRTL-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