General Information of the Compound
| Compound ID |
CP0461922
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| Compound Name |
1-tert-butyl-3-[2-(2,6-dimethylanilino)-5-nitrophenyl]sulfonylurea
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| Structure |
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| Formula |
C19H24N4O5S
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| Molecular Weight |
420.491
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| Canonical SMILES |
Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O
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| InChI |
InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)
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| InChIKey |
NHHSZFFUNUCPFW-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: PT01819, Thromboxane A2 receptor