General Information of the Compound
| Compound ID |
CP0384013
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| Compound Name |
2-(3-Chloro-benzyl)-5-(2,4-dichloro-phenyl)-2H-[1,2,4]triazole-3-thiol
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| Structure |
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| Formula |
C15H10Cl3N3S
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| Molecular Weight |
370.692
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| Canonical SMILES |
Clc1cccc(Cn2nc([nH]c2=S)-c2ccc(Cl)cc2Cl)c1
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| InChI |
InChI=1S/C15H10Cl3N3S/c16-10-3-1-2-9(6-10)8-21-15(22)19-14(20-21)12-5-4-11(17)7-13(12)18/h1-7H,8H2,(H,19,20,22)
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| InChIKey |
NLSGPSLKBTYDDS-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