General Information of the Compound
| Compound ID |
CP0454559
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| Compound Name |
4-{2-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-thiophen-3-yl}-benzenesulfonamide
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| Structure |
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| Formula |
C19H19NO3S2
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| Molecular Weight |
373.499
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| Canonical SMILES |
CC(C)(O)c1ccc(cc1)-c1sccc1-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H19NO3S2/c1-19(2,21)15-7-3-14(4-8-15)18-17(11-12-24-18)13-5-9-16(10-6-13)25(20,22)23/h3-12,21H,1-2H3,(H2,20,22,23)
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| InChIKey |
PXGHFWATHSXRPB-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2