General Information of the Compound
| Compound ID |
CP0548358
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| Compound Name |
3-[4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
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| Structure |
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| Formula |
C12H14ClN3OS
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| Molecular Weight |
283.784
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| Canonical SMILES |
CSc1nnc(CCCO)n1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C12H14ClN3OS/c1-18-12-15-14-11(3-2-8-17)16(12)10-6-4-9(13)5-7-10/h4-7,17H,2-3,8H2,1H3
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| InChIKey |
XYDWFDSNEWIAOR-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