General Information of the Compound
| Compound ID |
CP0432294
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| Compound Name |
2-[2-(5-ethoxy-5-oxopentyl)sulfanylbenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C16H20N2O4S
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| Molecular Weight |
336.413
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| Canonical SMILES |
CCOC(=O)CCCCSc1nc2ccccc2n1CC(O)=O
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| InChI |
InChI=1S/C16H20N2O4S/c1-2-22-15(21)9-5-6-10-23-16-17-12-7-3-4-8-13(12)18(16)11-14(19)20/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,20)
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| InChIKey |
IGQUCYGKQRGXDE-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