General Information of the Compound
| Compound ID |
CP0461258
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| Compound Name |
5-(2,4-Dichloro-phenyl)-2-(3-phenoxy-benzyl)-2H-[1,2,4]triazole-3-thiol
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| Structure |
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| Formula |
C21H15Cl2N3OS
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| Molecular Weight |
428.344
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| Canonical SMILES |
Clc1ccc(-c2nn(Cc3cccc(Oc4ccccc4)c3)c(=S)[nH]2)c(Cl)c1
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| InChI |
InChI=1S/C21H15Cl2N3OS/c22-15-9-10-18(19(23)12-15)20-24-21(28)26(25-20)13-14-5-4-8-17(11-14)27-16-6-2-1-3-7-16/h1-12H,13H2,(H,24,25,28)
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| InChIKey |
VGWBEDMOOQUIKD-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