General Information of the Compound
| Compound ID |
CP0690580
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| Compound Name |
SID89650090
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| Structure |
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| Formula |
C17H10N6O2S2
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| Molecular Weight |
394.441
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| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3ccc4c(=O)ccoc4c3)c12
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| InChI |
InChI=1S/C17H10N6O2S2/c1-23-17(20-21-22-23)27-16-14-11(7-26-15(14)18-8-19-16)9-2-3-10-12(24)4-5-25-13(10)6-9/h2-8H,1H3
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| InChIKey |
QQQUBGHUBGEPBN-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