General Information of the Compound
| Compound ID |
CP0462639
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| Compound Name |
2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-methylsulfonylbenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C20H20N2O6S2
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| Molecular Weight |
448.522
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| Canonical SMILES |
COc1ccc(cc1CSc1nc2cc(ccc2n1CC(O)=O)S(C)(=O)=O)C(C)=O
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| InChI |
InChI=1S/C20H20N2O6S2/c1-12(23)13-4-7-18(28-2)14(8-13)11-29-20-21-16-9-15(30(3,26)27)5-6-17(16)22(20)10-19(24)25/h4-9H,10-11H2,1-3H3,(H,24,25)
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| InChIKey |
YWBPYANLXRRKTL-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