General Information of the Compound
| Compound ID |
CP0492422
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| Compound Name |
(3-nitrophenyl) 4-[[3-(trifluoromethyl)benzoyl]amino]benzenesulfonate
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| Formula |
C20H13F3N2O6S
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| Molecular Weight |
466.393
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| Canonical SMILES |
[O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(c3)C(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C20H13F3N2O6S/c21-20(22,23)14-4-1-3-13(11-14)19(26)24-15-7-9-18(10-8-15)32(29,30)31-17-6-2-5-16(12-17)25(27)28/h1-12H,(H,24,26)
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| InChIKey |
KFMJKAJYIALDJF-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: PT04714, P2Y purinoceptor 2
Protein ID: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor