General Information of the Compound
| Compound ID |
CP0509002
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| Compound Name |
US8916553, 250
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| Structure |
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| Formula |
C15H15N3O3S
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| Molecular Weight |
317.37
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| Canonical SMILES |
COc1cc(NS(C)(=O)=O)ccc1-c1cncn2cccc12
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| InChI |
InChI=1S/C15H15N3O3S/c1-21-15-8-11(17-22(2,19)20)5-6-12(15)13-9-16-10-18-7-3-4-14(13)18/h3-10,17H,1-2H3
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| InChIKey |
CMVABCJDYMEGIH-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