General Information of the Compound
| Compound ID |
CP0507727
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| Compound Name |
5-(2,4-Dichloro-phenyl)-2-phenethyl-2H-[1,2,4]triazole-3-thiol
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| Structure |
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| Formula |
C16H13Cl2N3S
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| Molecular Weight |
350.274
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| Canonical SMILES |
Clc1ccc(-c2nn(CCc3ccccc3)c(=S)[nH]2)c(Cl)c1
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| InChI |
InChI=1S/C16H13Cl2N3S/c17-12-6-7-13(14(18)10-12)15-19-16(22)21(20-15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20,22)
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| InChIKey |
OFYWDYOOWQQQOL-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