General Information of the Compound
| Compound ID |
CP0539544
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| Compound Name |
US8916553, 144
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| Structure |
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| Formula |
C26H20N2O3S
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| Molecular Weight |
440.524
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1-c1cncc2ccccc12
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| InChI |
InChI=1S/C26H20N2O3S/c1-31-25-15-20(13-14-23(25)24-17-27-16-19-8-3-4-10-21(19)24)28-32(29,30)26-12-6-9-18-7-2-5-11-22(18)26/h2-17,28H,1H3
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| InChIKey |
NEDYLVAWVOLAAG-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