General Information of the Compound
| Compound ID |
CP0509001
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| Compound Name |
US8916553, 218
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| Structure |
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| Formula |
C14H17N3O3S
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| Molecular Weight |
307.375
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| Canonical SMILES |
CCc1ncncc1-c1ccc(NS(C)(=O)=O)cc1OC
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| InChI |
InChI=1S/C14H17N3O3S/c1-4-13-12(8-15-9-16-13)11-6-5-10(7-14(11)20-2)17-21(3,18)19/h5-9,17H,4H2,1-3H3
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| InChIKey |
OVLYRVKGYRNURQ-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