General Information of the Compound
| Compound ID |
CP0444831
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| Compound Name |
3-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
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| Structure |
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| Formula |
C12H13Cl2N3OS
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| Molecular Weight |
318.229
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| Canonical SMILES |
CSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C12H13Cl2N3OS/c1-19-12-16-15-11(3-2-6-18)17(12)10-5-4-8(13)7-9(10)14/h4-5,7,18H,2-3,6H2,1H3
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| InChIKey |
YLPXEPUKLLZFQG-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