General Information of the Compound
| Compound ID |
CP0425710
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| Compound Name |
2-[2-[(2-methoxyphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C17H16N2O3S
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| Molecular Weight |
328.393
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| Canonical SMILES |
COc1ccccc1CSc1nc2ccccc2n1CC(O)=O
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| InChI |
InChI=1S/C17H16N2O3S/c1-22-15-9-5-2-6-12(15)11-23-17-18-13-7-3-4-8-14(13)19(17)10-16(20)21/h2-9H,10-11H2,1H3,(H,20,21)
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| InChIKey |
ISDFQOMNBUYLCU-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