General Information of the Compound
| Compound ID |
CP0560151
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| Compound Name |
(3-nitrophenyl) 4-[(3-bromobenzoyl)amino]benzenesulfonate
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| Formula |
C19H13BrN2O6S
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| Molecular Weight |
477.292
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| Canonical SMILES |
[O-][N+](=O)c1cccc(OS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1
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| InChI |
InChI=1S/C19H13BrN2O6S/c20-14-4-1-3-13(11-14)19(23)21-15-7-9-18(10-8-15)29(26,27)28-17-6-2-5-16(12-17)22(24)25/h1-12H,(H,21,23)
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| InChIKey |
XJFXWHMPYOWHQO-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