General Information of the Compound
| Compound ID |
CP0438543
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| Compound Name |
ethyl 2-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
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| Structure |
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| Formula |
C20H22N2O3S
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| Molecular Weight |
370.474
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| Canonical SMILES |
CCOC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12
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| InChI |
InChI=1S/C20H22N2O3S/c1-3-24-19(23)14-22-18-10-5-4-9-17(18)21-20(22)26-12-11-25-16-8-6-7-15(2)13-16/h4-10,13H,3,11-12,14H2,1-2H3
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| InChIKey |
WJEQVLDVJBQCSL-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