General Information of the Compound
| Compound ID |
CP0380279
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| Compound Name |
4-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-[1,2,3]triazole
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| Structure |
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| Formula |
C15H13N3O2S
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| Molecular Weight |
299.355
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1[nH]nnc1-c1ccccc1
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| InChI |
InChI=1S/C15H13N3O2S/c1-21(19,20)13-9-7-12(8-10-13)15-14(16-18-17-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
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| InChIKey |
VGBOGWWHUYEBQH-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