General Information of the Compound
| Compound ID |
CP0435610
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| Compound Name |
1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-butylurea
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| Synonyms |
1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-butylurea
1-tert-butyl-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonylurea
284464-83-1
8E9L957C3G
AC1NSM3C
BDBM50188619
BM 573
BM-573
Benzenesulfonamide, N-(((1,1-dimethylethyl)amino)carbonyl)-2-((4-methylphenyl)amino)-5-nitro-
CHEMBL210602
LS-191119
N-tert-butyl-N''-[2-(4-methylphenylamino)-5-nitrobenzenesulfonyl]urea
N-tertbutyl-N'-[2-(4'-methylphenylamino)-5-nitrobenzenesulfo nyl]urea
NSC-732094
NSC732094
SCHEMBL3393325
UNII-8E9L957C3G
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| Structure |
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| Formula |
C18H22N4O5S
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| Molecular Weight |
406.464
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| Canonical SMILES |
Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
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| InChIKey |
SILRUCMXYIKULW-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
Cell-based Assay
Clinical Information about the Compound