General Information of the Compound
| Compound ID |
CP0411342
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| Compound Name |
MLS002607898
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| Structure |
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| Formula |
C12H10N2O4S
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| Molecular Weight |
278.289
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| Canonical SMILES |
CC(=O)Nc1ccc(Sc2ccc(o2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C12H10N2O4S/c1-8(15)13-9-2-4-10(5-3-9)19-12-7-6-11(18-12)14(16)17/h2-7H,1H3,(H,13,15)
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| InChIKey |
NPAJZEQRHDGSIE-UHFFFAOYSA-N
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| CAS |
6277-55-0
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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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8