General Information of the Compound
| Compound ID |
CP0368178
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| Compound Name |
4-(2,4-dichlorophenyl)-3-(3-hydroxypropyl)-1H-1,2,4-triazole-5-thione
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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 |
OCCCc1nnc(S)n1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C11H11Cl2N3OS/c12-7-3-4-9(8(13)6-7)16-10(2-1-5-17)14-15-11(16)18/h3-4,6,17H,1-2,5H2,(H,15,18)
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| InChIKey |
FLOMDOXOIIPFRF-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