General Information of the Compound
| Compound ID |
CP0506370
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| Compound Name |
5-(2,4-Dichloro-phenyl)-2-(3-methyl-benzyl)-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 |
Cc1cccc(Cn2nc([nH]c2=S)-c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C16H13Cl2N3S/c1-10-3-2-4-11(7-10)9-21-16(22)19-15(20-21)13-6-5-12(17)8-14(13)18/h2-8H,9H2,1H3,(H,19,20,22)
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| InChIKey |
DJRHRGVREWWGOM-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