General Information of the Compound
| Compound ID |
CP0521691
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| Compound Name |
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
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| Structure |
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| Formula |
C15H14N2O3S
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| Molecular Weight |
302.355
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| Canonical SMILES |
O=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C15H14N2O3S/c18-21(19,11-10-20-12-6-2-1-3-7-12)15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
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| InChIKey |
UFWQPVYIZPUELO-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3