General Information of the Compound
| Compound ID |
CP0466889
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| Compound Name |
2-Benzyl-5-o-tolyl-2H-[1,2,4]triazole-3-thiol
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| Structure |
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| Formula |
C16H15N3S
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| Molecular Weight |
281.384
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| Canonical SMILES |
Cc1ccccc1-c1nn(Cc2ccccc2)c(=S)[nH]1
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| InChI |
InChI=1S/C16H15N3S/c1-12-7-5-6-10-14(12)15-17-16(20)19(18-15)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H,17,18,20)
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| InChIKey |
YVVDFYIWVHEPEZ-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