General Information of the Compound
| Compound ID |
CP0660005
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| Compound Name |
MMV1506686
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| Structure |
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| Formula |
C11H8ClN3O3S
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| Molecular Weight |
297.723
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| Canonical SMILES |
O=C(Nc1csc([N+](=O)[O-])c1)Nc1ccccc1Cl
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| InChI |
InChI=1S/C11H8ClN3O3S/c12-8-3-1-2-4-9(8)14-11(16)13-7-5-10(15(17)18)19-6-7/h1-6H,(H2,13,14,16)
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| InChIKey |
FTCWSIUSMACZBA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3