General Information of the Compound
| Compound ID |
CP0494924
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| Compound Name |
4-(1-Benzyl-5-mercapto-1H-[1,2,4]triazol-3-yl)-benzonitrile
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| Structure |
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| Formula |
C16H12N4S
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| Molecular Weight |
292.367
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| Canonical SMILES |
S=c1[nH]c(nn1Cc1ccccc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C16H12N4S/c17-10-12-6-8-14(9-7-12)15-18-16(21)20(19-15)11-13-4-2-1-3-5-13/h1-9H,11H2,(H,18,19,21)
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| InChIKey |
HOXHQQHKBWNEJH-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