General Information of the Compound
| Compound ID |
CP0454700
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| Compound Name |
3-{2-[2-(3-Chloro-4-hydroxy-phenyl)-2-oxo-ethylsulfanyl]-1H-benzoimidazol-5-yloxymethyl}-benzoic acid methyl ester
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| Structure |
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| Formula |
C24H19ClN2O5S
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| Molecular Weight |
482.945
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| Canonical SMILES |
COC(=O)c1cccc(COc2ccc3nc(SCC(=O)c4ccc(O)c(Cl)c4)[nH]c3c2)c1
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| InChI |
InChI=1S/C24H19ClN2O5S/c1-31-23(30)16-4-2-3-14(9-16)12-32-17-6-7-19-20(11-17)27-24(26-19)33-13-22(29)15-5-8-21(28)18(25)10-15/h2-11,28H,12-13H2,1H3,(H,26,27)
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| InChIKey |
WZWRFTUZZBHHSL-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