General Information of the Compound
| Compound ID |
CP0488890
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| Compound Name |
2-[2-(3-ethoxyphenoxy)ethylsulfanyl]-1-[2-(4-methylphenoxy)ethyl]benzimidazole
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| Structure |
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| Formula |
C26H28N2O3S
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| Molecular Weight |
448.588
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| Canonical SMILES |
CCOc1cccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C26H28N2O3S/c1-3-29-22-7-6-8-23(19-22)31-17-18-32-26-27-24-9-4-5-10-25(24)28(26)15-16-30-21-13-11-20(2)12-14-21/h4-14,19H,3,15-18H2,1-2H3
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| InChIKey |
YPKXOUWDTKDPOW-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