General Information of the Compound
| Compound ID |
CP0788846
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| Compound Name |
SID24822421
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| Structure |
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| Formula |
C13H9N3O6S
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| Molecular Weight |
335.297
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| Canonical SMILES |
COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C#N)c1C
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| InChI |
InChI=1S/C13H9N3O6S/c1-6-7(5-14)12(23-10(6)13(18)21-2)15-11(17)8-3-4-9(22-8)16(19)20/h3-4H,1-2H3,(H,15,17)
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| InChIKey |
AJXHHTZHLVYSLA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3