General Information of the Compound
| Compound ID |
CP0546688
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| Compound Name |
US8916553, 164
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| Structure |
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| Formula |
C16H21N3O3S
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| Molecular Weight |
335.429
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| Canonical SMILES |
COc1cc(NS(=O)(=O)CC(C)C)ccc1-c1cncnc1C
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| InChI |
InChI=1S/C16H21N3O3S/c1-11(2)9-23(20,21)19-13-5-6-14(16(7-13)22-4)15-8-17-10-18-12(15)3/h5-8,10-11,19H,9H2,1-4H3
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| InChIKey |
OWLXPUGTLYYJLR-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