General Information of the Compound
| Compound ID |
CP0851881
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| Compound Name |
4-Chloro-N-(3-((2-hydroxy-3-methyl-4-oxocyclopent-2-en-1-yl)methyl)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 |
CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O
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| InChI |
InChI=1S/C21H22ClNO4S/c1-14-20(24)13-17(21(14)25)12-16-4-2-3-15(11-16)9-10-23-28(26,27)19-7-5-18(22)6-8-19/h2-8,11,17,23,25H,9-10,12-13H2,1H3
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| InChIKey |
QUMBJRZRFUYUMM-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