General Information of the Compound
| Compound ID |
CP0533250
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| Compound Name |
2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol
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| Structure |
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| Formula |
C11H11Cl2N3OS
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| Molecular Weight |
304.202
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| Canonical SMILES |
CSc1nnc(CCO)n1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C11H11Cl2N3OS/c1-18-11-15-14-10(4-5-17)16(11)9-3-2-7(12)6-8(9)13/h2-3,6,17H,4-5H2,1H3
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| InChIKey |
HDVGCISUSAZPKT-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