General Information of the Compound
| Compound ID |
CP0566104
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| Compound Name |
2-[2-(4-phenoxybutylsulfanyl)benzimidazol-1-yl]acetic acid
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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 |
OC(=O)Cn1c(SCCCCOc2ccccc2)nc2ccccc12
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| InChI |
InChI=1S/C19H20N2O3S/c22-18(23)14-21-17-11-5-4-10-16(17)20-19(21)25-13-7-6-12-24-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,22,23)
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| InChIKey |
YEIYZSIUMBJOCL-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