General Information of the Compound
| Compound ID |
CP0524269
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| Compound Name |
US9862730, Example 147
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| Structure |
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| Formula |
C12H8N4O2S2
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| Molecular Weight |
304.356
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2c(O)cccc2o1
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| InChI |
InChI=1S/C12H8N4O2S2/c1-19-12-15-16-5-6(13-11(16)20-12)10-14-9-7(17)3-2-4-8(9)18-10/h2-5,17H,1H3
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| InChIKey |
XDQKMIQNDCGJKD-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