General Information of the Compound
| Compound ID |
CP0487212
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| Compound Name |
2-[2-[(3-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 |
COc1cccc(CSc2nc3ccccc3n2CC(O)=O)c1
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| InChI |
InChI=1S/C17H16N2O3S/c1-22-13-6-4-5-12(9-13)11-23-17-18-14-7-2-3-8-15(14)19(17)10-16(20)21/h2-9H,10-11H2,1H3,(H,20,21)
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| InChIKey |
ZKLBJSAPLSIZIV-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