General Information of the Compound
| Compound ID |
CP0493642
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| Compound Name |
1-phenyl-2-(1-phenyl-1H-tetrazol-5-ylthio)ethanone
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| Structure |
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| Formula |
C16H13N3OS
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| Molecular Weight |
295.367
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| Canonical SMILES |
O=C(CSc1cnnn1-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C16H13N3OS/c20-15(13-7-3-1-4-8-13)12-21-16-11-17-18-19(16)14-9-5-2-6-10-14/h1-11H,12H2
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| InChIKey |
IUFRQIYKTUXDJY-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