General Information of the Compound
| Compound ID |
CP0473132
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| Compound Name |
2-(1-tert-butyl-1H-tetrazol-5-ylthio)-1-(3,4-dimethoxyphenyl)ethanone
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| Structure |
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| Formula |
C16H21N3O3S
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| Molecular Weight |
335.429
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)CSc1cnnn1C(C)(C)C
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| InChI |
InChI=1S/C16H21N3O3S/c1-16(2,3)19-15(9-17-18-19)23-10-12(20)11-6-7-13(21-4)14(8-11)22-5/h6-9H,10H2,1-5H3
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| InChIKey |
CNOBWVYVSSXGFS-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