General Information of the Compound
| Compound ID |
CP0443957
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| Compound Name |
4-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-1-benzofuran-2-carboxylic acid
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| Structure |
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| Formula |
C26H26N2O5S
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| Molecular Weight |
478.57
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(Cc2cccc3oc(cc23)C(O)=O)S(=O)(=O)c2cccnc2)cc1
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| InChI |
InChI=1S/C26H26N2O5S/c1-26(2,3)20-11-9-18(10-12-20)16-28(34(31,32)21-7-5-13-27-15-21)17-19-6-4-8-23-22(19)14-24(33-23)25(29)30/h4-15H,16-17H2,1-3H3,(H,29,30)
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| InChIKey |
PKWQYPAFJGALJT-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