General Information of the Compound
| Compound ID |
CP0919739
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| Compound Name |
4-Chloro-N-(3-((2-hydroxy-5-oxocyclopent-1-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=C1CCC(O)=C1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C20H20ClNO4S/c21-16-4-6-17(7-5-16)27(25,26)22-11-10-14-2-1-3-15(12-14)13-18-19(23)8-9-20(18)24/h1-7,12,22-23H,8-11,13H2
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| InChIKey |
QJEPDBPQVGLPQR-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
Protein ID: PT04623, Thromboxane A2 receptor