General Information of the Compound
| Compound ID |
CP0440693
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| Compound Name |
2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
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| Structure |
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| Formula |
C16H22N4S
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| Molecular Weight |
302.447
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| Canonical SMILES |
NCCSc1nc(C2CCCCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C16H22N4S/c17-11-12-21-16-18-15(13-7-3-1-4-8-13)20(19-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12,17H2
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| InChIKey |
URWAMRSFMYPXOS-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