General Information of the Compound
| Compound ID |
CP0438542
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| Compound Name |
methyl 2-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
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| Structure |
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| Formula |
C19H20N2O3S
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| Molecular Weight |
356.447
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| Canonical SMILES |
COC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc12
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| InChI |
InChI=1S/C19H20N2O3S/c1-14-7-9-15(10-8-14)24-11-12-25-19-20-16-5-3-4-6-17(16)21(19)13-18(22)23-2/h3-10H,11-13H2,1-2H3
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| InChIKey |
LWBSAQRVDRPBPL-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