General Information of the Compound
| Compound ID |
CP0745920
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| Compound Name |
SID89650085
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| Structure |
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| Formula |
C12H9N9S2
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| Molecular Weight |
343.401
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| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3cnc(N)nc3)c12
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| InChI |
InChI=1S/C12H9N9S2/c1-21-12(18-19-20-21)23-10-8-7(4-22-9(8)16-5-17-10)6-2-14-11(13)15-3-6/h2-5H,1H3,(H2,13,14,15)
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| InChIKey |
PWOMEIYJUFGQQR-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