General Information of the Compound
| Compound ID |
CP0140235
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| Compound Name |
Furan-2-carboxylic acid [1-butyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-amide
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| Structure |
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| Formula |
C26H24N4O4S
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| Molecular Weight |
488.569
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| Canonical SMILES |
CCCCn1c(NC(=O)c2ccco2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C26H24N4O4S/c1-3-4-15-30-24-22(27-19-8-5-6-9-20(19)28-24)23(25(30)29-26(31)21-10-7-16-34-21)35(32,33)18-13-11-17(2)12-14-18/h5-14,16H,3-4,15H2,1-2H3,(H,29,31)
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| InChIKey |
HLILTJGQRZJEPA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3