General Information of the Compound
| Compound ID |
CP0576187
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| Compound Name |
3-(5-methylsulfanyl-4-pyridin-3-yl-1,2,4-triazol-3-yl)propan-1-ol
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| Structure |
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| Formula |
C11H14N4OS
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| Molecular Weight |
250.327
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| Canonical SMILES |
CSc1nnc(CCCO)n1-c1cccnc1
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| InChI |
InChI=1S/C11H14N4OS/c1-17-11-14-13-10(5-3-7-16)15(11)9-4-2-6-12-8-9/h2,4,6,8,16H,3,5,7H2,1H3
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| InChIKey |
YFJCJVSUEUFSJU-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