General Information of the Compound
| Compound ID |
CP0467052
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| Compound Name |
1-(3,4-Difluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-tetrazole
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| Structure |
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| Formula |
C14H10F2N4O2S
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| Molecular Weight |
336.323
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1nnnn1-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C14H10F2N4O2S/c1-23(21,22)11-5-2-9(3-6-11)14-17-18-19-20(14)10-4-7-12(15)13(16)8-10/h2-8H,1H3
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| InChIKey |
UDIIPNKJLCADTC-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