General Information of the Compound
| Compound ID |
CP0169310
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| Compound Name |
1-(3,4-dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone
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| Structure |
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| Formula |
C15H11FN4O3S
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| Molecular Weight |
346.343
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| Canonical SMILES |
Oc1ccc(cc1O)C(=O)CSc1nnnn1-c1ccc(F)cc1
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| InChI |
InChI=1S/C15H11FN4O3S/c16-10-2-4-11(5-3-10)20-15(17-18-19-20)24-8-14(23)9-1-6-12(21)13(22)7-9/h1-7,21-22H,8H2
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| InChIKey |
NRRQKDJQQPTFNZ-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