General Information of the Compound
| Compound ID |
CP0465139
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| Compound Name |
1-butyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea
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| Structure |
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| Formula |
C18H21N3O6S
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| Molecular Weight |
407.448
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| Canonical SMILES |
CCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H21N3O6S/c1-3-4-11-19-18(22)20-28(25,26)17-12-14(21(23)24)7-10-16(17)27-15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,22)
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| InChIKey |
JATWQUFMAQBWNP-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