General Information of the Compound
| Compound ID |
CP0449521
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| Compound Name |
1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-hexylurea
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| Structure |
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| Formula |
C19H30N4O5S
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| Molecular Weight |
426.539
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| Canonical SMILES |
CCCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
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| InChIKey |
ACMVNXRJVDQYIR-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