General Information of the Compound
| Compound ID |
CP0573540
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| Compound Name |
3-ethylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C17H17N3OS
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| Molecular Weight |
311.41
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| Canonical SMILES |
CCSc1nnc(COc2ccccc2)n1-c1ccccc1
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| InChI |
InChI=1S/C17H17N3OS/c1-2-22-17-19-18-16(13-21-15-11-7-4-8-12-15)20(17)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
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| InChIKey |
KTUXSFRVURQAPZ-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