General Information of the Compound
| Compound ID |
CP0453761
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| Compound Name |
1-[2-(3,5-dimethylanilino)-5-nitrophenyl]sulfonyl-3-pentylurea
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| Structure |
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| Formula |
C20H26N4O5S
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| Molecular Weight |
434.518
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| Canonical SMILES |
CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1cc(C)cc(C)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H26N4O5S/c1-4-5-6-9-21-20(25)23-30(28,29)19-13-17(24(26)27)7-8-18(19)22-16-11-14(2)10-15(3)12-16/h7-8,10-13,22H,4-6,9H2,1-3H3,(H2,21,23,25)
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| InChIKey |
DQRYGXUTHQISAW-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