General Information of the Compound
| Compound ID |
CP0336677
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| Compound Name |
2-nitro-N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C16H10F3N3O4S
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| Molecular Weight |
397.334
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| Canonical SMILES |
[O-][N+](=O)c1cc(ccc1S(=O)(=O)Nc1cccc2cccnc12)C(F)(F)F
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| InChI |
InChI=1S/C16H10F3N3O4S/c17-16(18,19)11-6-7-14(13(9-11)22(23)24)27(25,26)21-12-5-1-3-10-4-2-8-20-15(10)12/h1-9,21H
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| InChIKey |
XFAYJVUYCNWUEQ-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: PT05222, NF-kappa-B inhibitor alpha
Protein ID: PT06104, Solute carrier family 40 member 1