General Information of the Compound
| Compound ID |
CP0570907
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| Compound Name |
US9353116, Fig. 16, Compound 2
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| Structure |
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| Formula |
C17H18N4O4S
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| Molecular Weight |
374.422
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| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(NS(C)(=O)=O)c3)c2cc1OC
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| InChI |
InChI=1S/C17H18N4O4S/c1-24-15-8-13-14(9-16(15)25-2)18-10-19-17(13)20-11-5-4-6-12(7-11)21-26(3,22)23/h4-10,21H,1-3H3,(H,18,19,20)
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| InChIKey |
VOQXQKBOJZIREZ-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