General Information of the Compound
| Compound ID |
CP0462647
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| Compound Name |
2-[2-(4-ethoxy-4-oxobutyl)sulfanylbenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C15H18N2O4S
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| Molecular Weight |
322.386
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| Canonical SMILES |
CCOC(=O)CCCSc1nc2ccccc2n1CC(O)=O
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| InChI |
InChI=1S/C15H18N2O4S/c1-2-21-14(20)8-5-9-22-15-16-11-6-3-4-7-12(11)17(15)10-13(18)19/h3-4,6-7H,2,5,8-10H2,1H3,(H,18,19)
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| InChIKey |
WRMKKUVLBLCLPQ-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