General Information of the Compound
| Compound ID |
CP0056884
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| Compound Name |
3-(cyclohexyldisulfanyl)-5-phenyl-1,2,4-triazol-4-amine
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| Structure |
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| Formula |
C14H18N4S2
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| Molecular Weight |
306.46
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| Canonical SMILES |
Nn1c(SSC2CCCCC2)nnc1-c1ccccc1
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| InChI |
InChI=1S/C14H18N4S2/c15-18-13(11-7-3-1-4-8-11)16-17-14(18)20-19-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,15H2
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| InChIKey |
TXEAUHIEXKQBEH-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