General Information of the Compound
| Compound ID |
CP0535276
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| Compound Name |
4-Chloro-5-(3,5-dichloro-4-methoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
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| Structure |
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| Formula |
C17H13Cl3N2O3S
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| Molecular Weight |
431.728
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| Canonical SMILES |
COc1c(Cl)cc(cc1Cl)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C17H13Cl3N2O3S/c1-25-16-13(18)7-10(8-14(16)19)15-17(20)21-9-22(15)11-3-5-12(6-4-11)26(2,23)24/h3-9H,1-2H3
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| InChIKey |
IYTBFRVLHPFFOH-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