General Information of the Compound
| Compound ID |
CP0511343
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| Compound Name |
2-benzyl-5-pyridin-3-yl-1H-1,2,4-triazole-3-thione
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| Structure |
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| Formula |
C14H12N4S
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| Molecular Weight |
268.345
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| Canonical SMILES |
Sc1nc(nn1Cc1ccccc1)-c1cccnc1
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| InChI |
InChI=1S/C14H12N4S/c19-14-16-13(12-7-4-8-15-9-12)17-18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17,19)
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| InChIKey |
VPSGJRQXODKPDO-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