General Information of the Compound
| Compound ID |
CP0851880
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| Compound Name |
4-Chloro-N-(3-(2-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-ethyl)phenethyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H22ClNO4S
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| Molecular Weight |
419.93
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| Canonical SMILES |
O=C1CCC(O)=C1CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C21H22ClNO4S/c22-17-5-7-18(8-6-17)28(26,27)23-13-12-16-3-1-2-15(14-16)4-9-19-20(24)10-11-21(19)25/h1-3,5-8,14,23-24H,4,9-13H2
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| InChIKey |
HRSNWHSFAMLNGL-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