General Information of the Compound
| Compound ID |
CP0435789
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| Compound Name |
3-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-ol
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| Structure |
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| Formula |
C12H21N3OS
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| Molecular Weight |
255.387
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| Canonical SMILES |
CSc1nnc(CCCO)n1C1CCCCC1
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| InChI |
InChI=1S/C12H21N3OS/c1-17-12-14-13-11(8-5-9-16)15(12)10-6-3-2-4-7-10/h10,16H,2-9H2,1H3
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| InChIKey |
NQWZEKANOMPHHN-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