General Information of the Compound
| Compound ID |
CP0450092
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| Compound Name |
US8916553, 245
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| Structure |
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| Formula |
C13H15N3O4S
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| Molecular Weight |
309.347
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| Canonical SMILES |
COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1OC
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| InChI |
InChI=1S/C13H15N3O4S/c1-19-12-6-9(16-21(3,17)18)4-5-10(12)11-7-14-8-15-13(11)20-2/h4-8,16H,1-3H3
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| InChIKey |
XACKRBBKZPPQTB-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