General Information of the Compound
| Compound ID |
CP0918581
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| Compound Name |
4-Chloro-N-(3-((3-ethyl-4-hydroxy-2-oxocyclopent-3-en-1-yl)methyl)phenethyl)benzenesulfonamide
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| Formula |
C22H24ClNO4S
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| Molecular Weight |
433.957
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| Canonical SMILES |
CCC1=C(O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O
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| InChI |
InChI=1S/C22H24ClNO4S/c1-2-20-21(25)14-17(22(20)26)13-16-5-3-4-15(12-16)10-11-24-29(27,28)19-8-6-18(23)7-9-19/h3-9,12,17,24-25H,2,10-11,13-14H2,1H3
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| InChIKey |
NXWOMRQRCZYWSE-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