General Information of the Compound
| Compound ID |
CP0556511
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| Compound Name |
US8916553, 159
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| Structure |
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| Formula |
C19H18N2O3S
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| Molecular Weight |
354.431
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| Canonical SMILES |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncc2ccccc12
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| InChI |
InChI=1S/C19H18N2O3S/c1-24-19-10-14(21-25(22,23)15-7-8-15)6-9-17(19)18-12-20-11-13-4-2-3-5-16(13)18/h2-6,9-12,15,21H,7-8H2,1H3
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| InChIKey |
MBHABKPKMXFFRR-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