General Information of the Compound
| Compound ID |
CP0498210
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| Compound Name |
5-Benzo[1,3]dioxol-5-yl-4-chloro-1-(4-methanesulfonyl-phenyl)-1H-imidazole
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| Structure |
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| Formula |
C17H13ClN2O4S
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| Molecular Weight |
376.821
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C17H13ClN2O4S/c1-25(21,22)13-5-3-12(4-6-13)20-9-19-17(18)16(20)11-2-7-14-15(8-11)24-10-23-14/h2-9H,10H2,1H3
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| InChIKey |
DLTZICHLUOWHAV-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