General Information of the Compound
| Compound ID |
CP0463302
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| Compound Name |
2-(1-benzyl-1H-tetrazol-5-ylthio)-1-(3,4-dimethoxyphenyl)ethanone
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| Structure |
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| Formula |
C19H19N3O3S
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| Molecular Weight |
369.446
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)CSc1cnnn1Cc1ccccc1
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| InChI |
InChI=1S/C19H19N3O3S/c1-24-17-9-8-15(10-18(17)25-2)16(23)13-26-19-11-20-21-22(19)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
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| InChIKey |
ZFTIFOTWJISFDT-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