General Information of the Compound
| Compound ID |
CP0432254
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| Compound Name |
2-[2-[(2-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C18H16N2O4S
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| Molecular Weight |
356.403
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| Canonical SMILES |
COC(=O)c1ccccc1CSc1nc2ccccc2n1CC(O)=O
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| InChI |
InChI=1S/C18H16N2O4S/c1-24-17(23)13-7-3-2-6-12(13)11-25-18-19-14-8-4-5-9-15(14)20(18)10-16(21)22/h2-9H,10-11H2,1H3,(H,21,22)
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| InChIKey |
ANSPVIFHKVYHGI-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