General Information of the Compound
| Compound ID |
CP0168365
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| Compound Name |
4-methyl-2-nitro-N-(8-quinolinyl)benzenesulfonamide
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| Structure |
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| Formula |
C16H13N3O4S
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| Molecular Weight |
343.364
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| Canonical SMILES |
Cc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1cccc2cccnc12
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| InChI |
InChI=1S/C16H13N3O4S/c1-11-7-8-15(14(10-11)19(20)21)24(22,23)18-13-6-2-4-12-5-3-9-17-16(12)13/h2-10,18H,1H3
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| InChIKey |
RDTYRMMBLYMRPW-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
Protein ID: PT05222, NF-kappa-B inhibitor alpha