General Information of the Compound
| Compound ID |
CP0502303
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| Compound Name |
1-(3,4-dimethoxyphenyl)-2-(1-methyl-1H-tetrazol-5-ylthio)ethanone
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| Structure |
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| Formula |
C13H15N3O3S
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| Molecular Weight |
293.348
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)CSc1cnnn1C
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| InChI |
InChI=1S/C13H15N3O3S/c1-16-13(7-14-15-16)20-8-10(17)9-4-5-11(18-2)12(6-9)19-3/h4-7H,8H2,1-3H3
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| InChIKey |
NURHBBZNPLSWAD-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