General Information of the Compound
| Compound ID |
CP0461903
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| Compound Name |
1-tert-butyl-3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]sulfonylurea
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| Structure |
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| Formula |
C18H21N3O5S2
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| Molecular Weight |
423.516
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| Canonical SMILES |
Cc1ccc(Sc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C18H21N3O5S2/c1-12-5-8-14(9-6-12)27-15-10-7-13(21(23)24)11-16(15)28(25,26)20-17(22)19-18(2,3)4/h5-11H,1-4H3,(H2,19,20,22)
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| InChIKey |
AJBWMHGSVUAWPG-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