General Information of the Compound
| Compound ID |
CP0024184
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| Compound Name |
3-nitro-N-[3-(3-piperidin-1-ylsulfonylanilino)quinoxalin-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H24N6O6S2
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| Molecular Weight |
568.637
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCCC1
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| InChI |
InChI=1S/C25H24N6O6S2/c32-31(33)19-9-7-10-20(17-19)38(34,35)29-25-24(27-22-12-2-3-13-23(22)28-25)26-18-8-6-11-21(16-18)39(36,37)30-14-4-1-5-15-30/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,26,27)(H,28,29)
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| InChIKey |
UOKAEZHXFOZPJF-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