General Information of the Compound
| Compound ID |
CP0418554
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| Compound Name |
3-methylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
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| Structure |
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| Formula |
C16H15N3OS
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| Molecular Weight |
297.383
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| Canonical SMILES |
CSc1nnc(COc2ccccc2)n1-c1ccccc1
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| InChI |
InChI=1S/C16H15N3OS/c1-21-16-18-17-15(12-20-14-10-6-3-7-11-14)19(16)13-8-4-2-5-9-13/h2-11H,12H2,1H3
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| InChIKey |
SGEGUKYBYZISPG-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