General Information of the Compound
| Compound ID |
CP0514365
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| Compound Name |
1-[2-(4-methylanilino)-5-nitrophenyl]sulfonyl-3-pentylurea
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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 |
CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(C)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H24N4O5S/c1-3-4-5-12-20-19(24)22-29(27,28)18-13-16(23(25)26)10-11-17(18)21-15-8-6-14(2)7-9-15/h6-11,13,21H,3-5,12H2,1-2H3,(H2,20,22,24)
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| InChIKey |
ZXEYXJKZEQUHBP-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