General Information of the Compound
| Compound ID |
CP0502518
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| Compound Name |
2-Benzyl-5-phenyl-2H-[1,2,4]triazole-3-thiol
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| Structure |
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| Formula |
C15H13N3S
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| Molecular Weight |
267.357
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| Canonical SMILES |
S=c1[nH]c(nn1Cc1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C15H13N3S/c19-15-16-14(13-9-5-2-6-10-13)17-18(15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17,19)
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| InChIKey |
WNNGZVCTVPBUNB-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