General Information of the Compound
| Compound ID |
CP0450089
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| Compound Name |
US8916553, 220
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| Structure |
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| Formula |
C15H19N3O3S
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| Molecular Weight |
321.402
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| Canonical SMILES |
COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C(C)C
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| InChI |
InChI=1S/C15H19N3O3S/c1-10(2)15-13(8-16-9-17-15)12-6-5-11(7-14(12)21-3)18-22(4,19)20/h5-10,18H,1-4H3
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| InChIKey |
QZLGQDWXRCCCML-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