General Information of the Compound
| Compound ID |
CP0534850
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| Compound Name |
3-{2-[2-(3,4-Dihydroxy-phenyl)-2-oxo-ethylsulfanyl]-1H-benzoimidazol-5-yloxymethyl}-benzoic acid
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| Structure |
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| Formula |
C23H18N2O6S
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| Molecular Weight |
450.472
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| Canonical SMILES |
OC(=O)c1cccc(COc2ccc3nc(SCC(=O)c4ccc(O)c(O)c4)[nH]c3c2)c1
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| InChI |
InChI=1S/C23H18N2O6S/c26-19-7-4-14(9-20(19)27)21(28)12-32-23-24-17-6-5-16(10-18(17)25-23)31-11-13-2-1-3-15(8-13)22(29)30/h1-10,26-27H,11-12H2,(H,24,25)(H,29,30)
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| InChIKey |
WSMHUXDLXGUDEF-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