General Information of the Compound
| Compound ID |
CP0440907
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| Compound Name |
3-[5-methylsulfanyl-4-(3,4,5-trichlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol
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| Structure |
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| Formula |
C12H12Cl3N3OS
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| Molecular Weight |
352.674
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| Canonical SMILES |
CSc1nnc(CCCO)n1-c1cc(Cl)c(Cl)c(Cl)c1
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| InChI |
InChI=1S/C12H12Cl3N3OS/c1-20-12-17-16-10(3-2-4-19)18(12)7-5-8(13)11(15)9(14)6-7/h5-6,19H,2-4H2,1H3
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| InChIKey |
LBOKBKLEZKVPEJ-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