General Information of the Compound
| Compound ID |
CP0894535
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| Compound Name |
4-Chloro-N-(3-((2-hydroxy-4-oxocyclopent-2-en-1-yl)methyl)-phenethyl)benzenesulfonamide
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| Structure |
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| Formula |
C20H20ClNO4S
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| Molecular Weight |
405.903
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| Canonical SMILES |
O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1
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| InChI |
InChI=1S/C20H20ClNO4S/c21-17-4-6-19(7-5-17)27(25,26)22-9-8-14-2-1-3-15(10-14)11-16-12-18(23)13-20(16)24/h1-7,10,13,16,22,24H,8-9,11-12H2
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| InChIKey |
ZIIQKOSWWBOXNW-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: PT04623, Thromboxane A2 receptor
Protein ID: PT01819, Thromboxane A2 receptor