General Information of the Compound
| Compound ID |
CP0539045
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| Compound Name |
2-Benzyl-5-(4-trifluoromethyl-phenyl)-2H-[1,2,4]triazole-3-thiol
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| Structure |
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| Formula |
C16H12F3N3S
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| Molecular Weight |
335.354
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1nn(Cc2ccccc2)c(=S)[nH]1
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| InChI |
InChI=1S/C16H12F3N3S/c17-16(18,19)13-8-6-12(7-9-13)14-20-15(23)22(21-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21,23)
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| InChIKey |
DUOJFQDFAUWFID-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