General Information of the Compound
| Compound ID |
CP0423516
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| Compound Name |
2-(2-butylsulfanylbenzimidazol-1-yl)acetic acid
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| Structure |
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| Formula |
C13H16N2O2S
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| Molecular Weight |
264.35
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| Canonical SMILES |
CCCCSc1nc2ccccc2n1CC(O)=O
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| InChI |
InChI=1S/C13H16N2O2S/c1-2-3-8-18-13-14-10-6-4-5-7-11(10)15(13)9-12(16)17/h4-7H,2-3,8-9H2,1H3,(H,16,17)
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| InChIKey |
MPVWBSXUPRXRNF-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