General Information of the Compound
| Compound ID |
CP0506883
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| Compound Name |
US8916553, 165
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| Structure |
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| Formula |
C18H17N3O3S
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| Molecular Weight |
355.419
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncnc1C
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| InChI |
InChI=1S/C18H17N3O3S/c1-13-17(11-19-12-20-13)16-9-8-14(10-18(16)24-2)21-25(22,23)15-6-4-3-5-7-15/h3-12,21H,1-2H3
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| InChIKey |
RJZPAFGZMMTXND-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